smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305805958 1069333144 /nfs/dbraw/zinc/33/31/44/1069333144.db2.gz ZRVHKMDWJPEORQ-UPVQGACJSA-N 2 1 497.688 3.179 20 0 JGADMP CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305805958 1069333151 /nfs/dbraw/zinc/33/31/51/1069333151.db2.gz ZRVHKMDWJPEORQ-UPVQGACJSA-N 2 1 497.688 3.179 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)C1CCCCC1 ZINC001298234992 1064140724 /nfs/dbraw/zinc/14/07/24/1064140724.db2.gz DAGMOPHOJGRCSG-UHFFFAOYSA-N 2 1 457.667 3.332 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298234992 1064140727 /nfs/dbraw/zinc/14/07/27/1064140727.db2.gz DAGMOPHOJGRCSG-UHFFFAOYSA-N 2 1 457.667 3.332 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298728574 1064542333 /nfs/dbraw/zinc/54/23/33/1064542333.db2.gz XCYJMIWLWMZUSB-NRFANRHFSA-N 2 1 461.054 3.486 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298728574 1064542344 /nfs/dbraw/zinc/54/23/44/1064542344.db2.gz XCYJMIWLWMZUSB-NRFANRHFSA-N 2 1 461.054 3.486 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1CC[NH+]1CCCCC1 ZINC001298732850 1064547611 /nfs/dbraw/zinc/54/76/11/1064547611.db2.gz FWZHIQFBDHFLKT-UHFFFAOYSA-N 2 1 454.663 3.096 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1CC[NH+]1CCCCC1 ZINC001298732850 1064547623 /nfs/dbraw/zinc/54/76/23/1064547623.db2.gz FWZHIQFBDHFLKT-UHFFFAOYSA-N 2 1 454.663 3.096 20 0 JGADMP C[N@H+]1CC[C@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298880622 1064685846 /nfs/dbraw/zinc/68/58/46/1064685846.db2.gz WPHLVRYCMPVGNH-XMMPIXPASA-N 2 1 461.054 3.223 20 0 JGADMP Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC001298887982 1064697435 /nfs/dbraw/zinc/69/74/35/1064697435.db2.gz ZDWGFNYHKHJWJK-OAQYLSRUSA-N 2 1 456.683 3.357 20 0 JGADMP C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001298889743 1064699219 /nfs/dbraw/zinc/69/92/19/1064699219.db2.gz WDLOZORWFIZDQM-FQEVSTJZSA-N 2 1 487.718 3.311 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCO)c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001299855104 1065063445 /nfs/dbraw/zinc/06/34/45/1065063445.db2.gz KKYPPEDCMDMRES-NRFANRHFSA-N 2 1 457.537 3.321 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299990746 1065294697 /nfs/dbraw/zinc/29/46/97/1065294697.db2.gz MSKCTGYRDIBGDT-DEOSSOPVSA-N 2 1 498.716 3.353 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299990746 1065294706 /nfs/dbraw/zinc/29/47/06/1065294706.db2.gz MSKCTGYRDIBGDT-DEOSSOPVSA-N 2 1 498.716 3.353 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001299991400 1065296490 /nfs/dbraw/zinc/29/64/90/1065296490.db2.gz VORPWEMEFJGSRE-QFIPXVFZSA-N 2 1 470.662 3.152 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299991400 1065296502 /nfs/dbraw/zinc/29/65/02/1065296502.db2.gz VORPWEMEFJGSRE-QFIPXVFZSA-N 2 1 470.662 3.152 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299991493 1065296541 /nfs/dbraw/zinc/29/65/41/1065296541.db2.gz XARXKCPYAPMLFI-HSZRJFAPSA-N 2 1 484.689 3.062 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299991493 1065296549 /nfs/dbraw/zinc/29/65/49/1065296549.db2.gz XARXKCPYAPMLFI-HSZRJFAPSA-N 2 1 484.689 3.062 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492267198 1065363028 /nfs/dbraw/zinc/36/30/28/1065363028.db2.gz PQSMFDRGYKJSGG-RXVVDRJESA-N 2 1 467.662 3.408 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492358910 1065420731 /nfs/dbraw/zinc/42/07/31/1065420731.db2.gz FNNHYPXVSVHGBR-HSZRJFAPSA-N 2 1 483.705 3.110 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492376803 1065439678 /nfs/dbraw/zinc/43/96/78/1065439678.db2.gz FYXBAAAUILCZIU-UHFFFAOYSA-N 2 1 494.688 3.199 20 0 JGADMP Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454711 1065505671 /nfs/dbraw/zinc/50/56/71/1065505671.db2.gz ZAKKDWQVANNCKQ-LEWJYISDSA-N 2 1 458.676 3.130 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302026033 1066386021 /nfs/dbraw/zinc/38/60/21/1066386021.db2.gz VWQHQKPFPQTIQY-FCHUYYIVSA-N 2 1 462.683 3.189 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302030859 1066396074 /nfs/dbraw/zinc/39/60/74/1066396074.db2.gz YUYNKPJHCXERLW-CTNGQTDRSA-N 2 1 450.672 3.089 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301609093 1066456431 /nfs/dbraw/zinc/45/64/31/1066456431.db2.gz XCHNYYMALZHIOB-UHFFFAOYSA-N 2 1 479.467 3.206 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302068407 1066471804 /nfs/dbraw/zinc/47/18/04/1066471804.db2.gz PFDKDIBXRUNNDX-NRFANRHFSA-N 2 1 450.672 3.045 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001302068407 1066471818 /nfs/dbraw/zinc/47/18/18/1066471818.db2.gz PFDKDIBXRUNNDX-NRFANRHFSA-N 2 1 450.672 3.045 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001302068407 1066471829 /nfs/dbraw/zinc/47/18/29/1066471829.db2.gz PFDKDIBXRUNNDX-NRFANRHFSA-N 2 1 450.672 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302072198 1066482091 /nfs/dbraw/zinc/48/20/91/1066482091.db2.gz LHGMVDUTQUJDRH-JOCHJYFZSA-N 2 1 462.683 3.189 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302080416 1066496668 /nfs/dbraw/zinc/49/66/68/1066496668.db2.gz PDJYQYGDQYSXOB-SFTDATJTSA-N 2 1 450.672 3.043 20 0 JGADMP CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001302096829 1066527937 /nfs/dbraw/zinc/52/79/37/1066527937.db2.gz VHUJAAXPGIYDAX-HSZRJFAPSA-N 2 1 472.653 3.274 20 0 JGADMP CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001302096829 1066527948 /nfs/dbraw/zinc/52/79/48/1066527948.db2.gz VHUJAAXPGIYDAX-HSZRJFAPSA-N 2 1 472.653 3.274 20 0 JGADMP 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 1066599945 /nfs/dbraw/zinc/59/99/45/1066599945.db2.gz KYVKKOJVWUEOCD-HOUBMWHVSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001301708299 1066599955 /nfs/dbraw/zinc/59/99/55/1066599955.db2.gz KYVKKOJVWUEOCD-HOUBMWHVSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001301708299 1066599961 /nfs/dbraw/zinc/59/99/61/1066599961.db2.gz KYVKKOJVWUEOCD-HOUBMWHVSA-N 2 1 487.737 3.075 20 0 JGADMP COCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301721619 1066627584 /nfs/dbraw/zinc/62/75/84/1066627584.db2.gz MEQKXYLTPMCDJK-UHFFFAOYSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001301735557 1066657376 /nfs/dbraw/zinc/65/73/76/1066657376.db2.gz CTYGKRAONWIVFO-MJGOQNOKSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001301735557 1066657380 /nfs/dbraw/zinc/65/73/80/1066657380.db2.gz CTYGKRAONWIVFO-MJGOQNOKSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001301735557 1066657383 /nfs/dbraw/zinc/65/73/83/1066657383.db2.gz CTYGKRAONWIVFO-MJGOQNOKSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301735797 1066658000 /nfs/dbraw/zinc/65/80/00/1066658000.db2.gz DTSOZDNANUFHBO-UHFFFAOYSA-N 2 1 460.692 3.209 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302191097 1066673443 /nfs/dbraw/zinc/67/34/43/1066673443.db2.gz QJGLHKKFOHZCAQ-JOCHJYFZSA-N 2 1 469.678 3.135 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001302194173 1066681192 /nfs/dbraw/zinc/68/11/92/1066681192.db2.gz YENMIOXZBWNWDO-UHFFFAOYSA-N 2 1 490.643 3.428 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301874496 1066875581 /nfs/dbraw/zinc/87/55/81/1066875581.db2.gz LLZNNVARJMAKHR-OAQYLSRUSA-N 2 1 497.688 3.038 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001301874856 1066875650 /nfs/dbraw/zinc/87/56/50/1066875650.db2.gz QLBKLOAKCWSQCO-JOCHJYFZSA-N 2 1 470.662 3.190 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001301877187 1066878735 /nfs/dbraw/zinc/87/87/35/1066878735.db2.gz JZGAAVBOSZQXIM-VWPQPMDRSA-N 2 1 458.651 3.142 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301878206 1066880957 /nfs/dbraw/zinc/88/09/57/1066880957.db2.gz ULCFCRGXLJGVKG-GGAORHGYSA-N 2 1 470.662 3.288 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301883689 1066892397 /nfs/dbraw/zinc/89/23/97/1066892397.db2.gz ZUURNPSETZHVAI-IBGZPJMESA-N 2 1 491.478 3.208 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301883689 1066892403 /nfs/dbraw/zinc/89/24/03/1066892403.db2.gz ZUURNPSETZHVAI-IBGZPJMESA-N 2 1 491.478 3.208 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301887037 1066899094 /nfs/dbraw/zinc/89/90/94/1066899094.db2.gz GKVQCLNFDAZMNT-KRWDZBQOSA-N 2 1 495.441 3.099 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001301887017 1066899152 /nfs/dbraw/zinc/89/91/52/1066899152.db2.gz FYSDCMNKRURJNC-JKSUJKDBSA-N 2 1 455.434 3.359 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904795 /nfs/dbraw/zinc/90/47/95/1066904795.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904807 /nfs/dbraw/zinc/90/48/07/1066904807.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904821 /nfs/dbraw/zinc/90/48/21/1066904821.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301896015 1066918284 /nfs/dbraw/zinc/91/82/84/1066918284.db2.gz CGPYKAKPBVUVOW-PMACEKPBSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001301900104 1066924773 /nfs/dbraw/zinc/92/47/73/1066924773.db2.gz XBDMIUOTFOXQMM-AVRDEDQJSA-N 2 1 472.037 3.386 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001301911969 1066938525 /nfs/dbraw/zinc/93/85/25/1066938525.db2.gz JABYNOZOBJLWHK-PMOQBDJRSA-N 2 1 474.625 3.119 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001301912582 1066939450 /nfs/dbraw/zinc/93/94/50/1066939450.db2.gz KTXNMJGUUZTWKY-MZYLBHOOSA-N 2 1 462.683 3.187 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301919211 1066951163 /nfs/dbraw/zinc/95/11/63/1066951163.db2.gz GNNRIWLGDWJMPR-LVXARBLLSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301920005 1066952824 /nfs/dbraw/zinc/95/28/24/1066952824.db2.gz LTVJSUMOAHQHAT-OFNKIYASSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920005 1066952832 /nfs/dbraw/zinc/95/28/32/1066952832.db2.gz LTVJSUMOAHQHAT-OFNKIYASSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920005 1066952839 /nfs/dbraw/zinc/95/28/39/1066952839.db2.gz LTVJSUMOAHQHAT-OFNKIYASSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001301927772 1066964012 /nfs/dbraw/zinc/96/40/12/1066964012.db2.gz NNKQFPSYPIYHPJ-HSZRJFAPSA-N 2 1 470.662 3.117 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928915 1066966197 /nfs/dbraw/zinc/96/61/97/1066966197.db2.gz YDJKPHBRWWMKRX-UPVQGACJSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928915 1066966205 /nfs/dbraw/zinc/96/62/05/1066966205.db2.gz YDJKPHBRWWMKRX-UPVQGACJSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928915 1066966212 /nfs/dbraw/zinc/96/62/12/1066966212.db2.gz YDJKPHBRWWMKRX-UPVQGACJSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301934441 1066974844 /nfs/dbraw/zinc/97/48/44/1066974844.db2.gz YPRPBEQBAXXUOH-TZRRMPRUSA-N 2 1 490.737 3.476 20 0 JGADMP CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001303979542 1067027326 /nfs/dbraw/zinc/02/73/26/1067027326.db2.gz JPHKCBQHZIQFOC-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001303979542 1067027341 /nfs/dbraw/zinc/02/73/41/1067027341.db2.gz JPHKCBQHZIQFOC-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)(C)[NH+]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303979542 1067027354 /nfs/dbraw/zinc/02/73/54/1067027354.db2.gz JPHKCBQHZIQFOC-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)(C)[NH+]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303979542 1067027364 /nfs/dbraw/zinc/02/73/64/1067027364.db2.gz JPHKCBQHZIQFOC-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304018556 1067062336 /nfs/dbraw/zinc/06/23/36/1067062336.db2.gz FOLCYASDMRAGCH-HXAGEGRHSA-N 2 1 470.662 3.286 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304018591 1067062578 /nfs/dbraw/zinc/06/25/78/1067062578.db2.gz FOLCYASDMRAGCH-RQNQAMLKSA-N 2 1 470.662 3.286 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019792 1067063863 /nfs/dbraw/zinc/06/38/63/1067063863.db2.gz KSTIRBGYEOUZIY-WWNPGLIZSA-N 2 1 470.662 3.286 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030152 1067078372 /nfs/dbraw/zinc/07/83/72/1067078372.db2.gz NLFXJBRDTSSMTA-DHIUTWEWSA-N 2 1 470.662 3.288 20 0 JGADMP CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302526949 1067152468 /nfs/dbraw/zinc/15/24/68/1067152468.db2.gz WSPNIUXFGDWNIJ-PKTZIBPZSA-N 2 1 476.710 3.087 20 0 JGADMP CC(C)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302667993 1067295316 /nfs/dbraw/zinc/29/53/16/1067295316.db2.gz HVQLZRHCCDDVJM-DEOSSOPVSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001302667993 1067295323 /nfs/dbraw/zinc/29/53/23/1067295323.db2.gz HVQLZRHCCDDVJM-DEOSSOPVSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001302667993 1067295326 /nfs/dbraw/zinc/29/53/26/1067295326.db2.gz HVQLZRHCCDDVJM-DEOSSOPVSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001302675582 1067301140 /nfs/dbraw/zinc/30/11/40/1067301140.db2.gz YROGVQAYAQGTRV-JOCHJYFZSA-N 2 1 488.080 3.102 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691795 1067316864 /nfs/dbraw/zinc/31/68/64/1067316864.db2.gz FUDQYPOELDOPOR-UPVQGACJSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001302691795 1067316871 /nfs/dbraw/zinc/31/68/71/1067316871.db2.gz FUDQYPOELDOPOR-UPVQGACJSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001302691795 1067316879 /nfs/dbraw/zinc/31/68/79/1067316879.db2.gz FUDQYPOELDOPOR-UPVQGACJSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001302821033 1067409198 /nfs/dbraw/zinc/40/91/98/1067409198.db2.gz TVATUONUBMTBAJ-SFTDATJTSA-N 2 1 490.643 3.282 20 0 JGADMP CC(C)C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001302821428 1067410093 /nfs/dbraw/zinc/41/00/93/1067410093.db2.gz VXKKNHOBWVBLPA-XMMPIXPASA-N 2 1 497.736 3.349 20 0 JGADMP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[NH+](C)C ZINC001302824802 1067414344 /nfs/dbraw/zinc/41/43/44/1067414344.db2.gz UBAOMMYAIWMQMR-BJKOFHAPSA-N 2 1 475.726 3.101 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001304407134 1067471590 /nfs/dbraw/zinc/47/15/90/1067471590.db2.gz IVUSUDKUKGBDQG-AREMUKBSSA-N 2 1 470.662 3.197 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001304407134 1067471592 /nfs/dbraw/zinc/47/15/92/1067471592.db2.gz IVUSUDKUKGBDQG-AREMUKBSSA-N 2 1 470.662 3.197 20 0 JGADMP 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 1067473851 /nfs/dbraw/zinc/47/38/51/1067473851.db2.gz UGRJHQHZQLDXEI-TYBLODHISA-N 2 1 478.751 3.240 20 0 JGADMP 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 1067485423 /nfs/dbraw/zinc/48/54/23/1067485423.db2.gz KVNGVZUTZZWRRT-OHUGHZGNSA-N 2 1 478.751 3.339 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304417879 1067490784 /nfs/dbraw/zinc/49/07/84/1067490784.db2.gz GGEUAPWYEQDFKN-ZRZAMGCNSA-N 2 1 470.662 3.195 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302906100 1067491424 /nfs/dbraw/zinc/49/14/24/1067491424.db2.gz ZQNBBZFHZAMLJL-IMSXRSKXSA-N 2 1 469.678 3.396 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302906100 1067491429 /nfs/dbraw/zinc/49/14/29/1067491429.db2.gz ZQNBBZFHZAMLJL-IMSXRSKXSA-N 2 1 469.678 3.396 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001302908863 1067493449 /nfs/dbraw/zinc/49/34/49/1067493449.db2.gz LYXOEOZDWUUKBM-SZPZYZBQSA-N 2 1 472.653 3.429 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001302908863 1067493455 /nfs/dbraw/zinc/49/34/55/1067493455.db2.gz LYXOEOZDWUUKBM-SZPZYZBQSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302937117 1067510524 /nfs/dbraw/zinc/51/05/24/1067510524.db2.gz JGVFHCXOODZTLF-UHFFFAOYSA-N 2 1 456.683 3.044 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001302937117 1067510528 /nfs/dbraw/zinc/51/05/28/1067510528.db2.gz JGVFHCXOODZTLF-UHFFFAOYSA-N 2 1 456.683 3.044 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001302937117 1067510534 /nfs/dbraw/zinc/51/05/34/1067510534.db2.gz JGVFHCXOODZTLF-UHFFFAOYSA-N 2 1 456.683 3.044 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001302965461 1067535885 /nfs/dbraw/zinc/53/58/85/1067535885.db2.gz DPCZGTXOYKYPJR-LJQANCHMSA-N 2 1 483.583 3.027 20 0 JGADMP Cc1cccc(-c2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304478880 1067557960 /nfs/dbraw/zinc/55/79/60/1067557960.db2.gz OWDXIYFIXAANCA-UHFFFAOYSA-N 2 1 482.721 3.374 20 0 JGADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304525561 1067598761 /nfs/dbraw/zinc/59/87/61/1067598761.db2.gz ITNZKKHGWFVJRV-RUZDIDTESA-N 2 1 472.703 3.238 20 0 JGADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304525561 1067598765 /nfs/dbraw/zinc/59/87/65/1067598765.db2.gz ITNZKKHGWFVJRV-RUZDIDTESA-N 2 1 472.703 3.238 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001304551004 1067620414 /nfs/dbraw/zinc/62/04/14/1067620414.db2.gz MOEGZHUTYUMOLW-SANMLTNESA-N 2 1 454.663 3.209 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC[N@H+](C)C(C)C ZINC001304551004 1067620424 /nfs/dbraw/zinc/62/04/24/1067620424.db2.gz MOEGZHUTYUMOLW-SANMLTNESA-N 2 1 454.663 3.209 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304560354 1067629932 /nfs/dbraw/zinc/62/99/32/1067629932.db2.gz UFGSSGQWCZBYGE-RUZDIDTESA-N 2 1 495.716 3.039 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304561829 1067631986 /nfs/dbraw/zinc/63/19/86/1067631986.db2.gz QBLFIRLIOXSBNE-XMMPIXPASA-N 2 1 454.663 3.207 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304561829 1067631988 /nfs/dbraw/zinc/63/19/88/1067631988.db2.gz QBLFIRLIOXSBNE-XMMPIXPASA-N 2 1 454.663 3.207 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001303184792 1067718459 /nfs/dbraw/zinc/71/84/59/1067718459.db2.gz PFYNFIFSSTXAPN-UHFFFAOYSA-N 2 1 492.615 3.435 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001303195848 1067729164 /nfs/dbraw/zinc/72/91/64/1067729164.db2.gz DKFAQOFRPGTJEX-HSZRJFAPSA-N 2 1 475.081 3.147 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001304666476 1067733924 /nfs/dbraw/zinc/73/39/24/1067733924.db2.gz QCFLEYKCYUPXLP-LJQANCHMSA-N 2 1 475.707 3.102 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CC[N@@H+](C)Cc2ccccc2)cs1 ZINC001304669784 1067738465 /nfs/dbraw/zinc/73/84/65/1067738465.db2.gz JOKVLOBTRBWWDM-UHFFFAOYSA-N 2 1 453.660 3.296 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001303204481 1067741127 /nfs/dbraw/zinc/74/11/27/1067741127.db2.gz MSFRJASTUKYIEW-QFIPXVFZSA-N 2 1 460.692 3.254 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001303259756 1067786364 /nfs/dbraw/zinc/78/63/64/1067786364.db2.gz YMSUBXCZOOJMRW-UNMCSNQZSA-N 2 1 459.683 3.050 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001303261583 1067787973 /nfs/dbraw/zinc/78/79/73/1067787973.db2.gz NWBSWGLRWGYFGM-QFIPXVFZSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001303267927 1067795164 /nfs/dbraw/zinc/79/51/64/1067795164.db2.gz KNJXLBMGBIONGP-UHFFFAOYSA-N 2 1 470.691 3.107 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001303267927 1067795170 /nfs/dbraw/zinc/79/51/70/1067795170.db2.gz KNJXLBMGBIONGP-UHFFFAOYSA-N 2 1 470.691 3.107 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001303267927 1067795178 /nfs/dbraw/zinc/79/51/78/1067795178.db2.gz KNJXLBMGBIONGP-UHFFFAOYSA-N 2 1 470.691 3.107 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001303268499 1067796376 /nfs/dbraw/zinc/79/63/76/1067796376.db2.gz HYJUMLGFINOJAO-UHFFFAOYSA-N 2 1 464.456 3.441 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001303268773 1067796771 /nfs/dbraw/zinc/79/67/71/1067796771.db2.gz MJGJZAZRTQCMAD-FUHWJXTLSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303268773 1067796776 /nfs/dbraw/zinc/79/67/76/1067796776.db2.gz MJGJZAZRTQCMAD-FUHWJXTLSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303268773 1067796781 /nfs/dbraw/zinc/79/67/81/1067796781.db2.gz MJGJZAZRTQCMAD-FUHWJXTLSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303269233 1067797731 /nfs/dbraw/zinc/79/77/31/1067797731.db2.gz UXYOLTOQNCSEOP-IBGZPJMESA-N 2 1 491.478 3.206 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303269234 1067797773 /nfs/dbraw/zinc/79/77/73/1067797773.db2.gz UXYOLTOQNCSEOP-LJQANCHMSA-N 2 1 491.478 3.206 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304739428 1067813255 /nfs/dbraw/zinc/81/32/55/1067813255.db2.gz DTWZRDGGJURIPB-UPVQGACJSA-N 2 1 464.662 3.191 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303304438 1067831234 /nfs/dbraw/zinc/83/12/34/1067831234.db2.gz GTHHYLJAKBSOIC-UHFFFAOYSA-N 3 1 468.694 3.103 20 0 JGADMP CC(C)[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303304438 1067831255 /nfs/dbraw/zinc/83/12/55/1067831255.db2.gz GTHHYLJAKBSOIC-UHFFFAOYSA-N 2 1 468.694 3.103 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303304438 1067831267 /nfs/dbraw/zinc/83/12/67/1067831267.db2.gz GTHHYLJAKBSOIC-UHFFFAOYSA-N 2 1 468.694 3.103 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303308091 1067836643 /nfs/dbraw/zinc/83/66/43/1067836643.db2.gz QVAXPSHIKPZWFL-UHFFFAOYSA-N 2 1 456.635 3.225 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCC[C@@H]2CO)CC1 ZINC001303310418 1067838278 /nfs/dbraw/zinc/83/82/78/1067838278.db2.gz IEWSFJHEQRVZNG-WXFUMESZSA-N 2 1 490.737 3.354 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001303310418 1067838283 /nfs/dbraw/zinc/83/82/83/1067838283.db2.gz IEWSFJHEQRVZNG-WXFUMESZSA-N 2 1 490.737 3.354 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001303310418 1067838289 /nfs/dbraw/zinc/83/82/89/1067838289.db2.gz IEWSFJHEQRVZNG-WXFUMESZSA-N 2 1 490.737 3.354 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303310380 1067838460 /nfs/dbraw/zinc/83/84/60/1067838460.db2.gz GULJMJBTQSLDPP-INIZCTEOSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303312083 1067841666 /nfs/dbraw/zinc/84/16/66/1067841666.db2.gz YDMQWMFRAAGDDT-NRFANRHFSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001303366208 1067894411 /nfs/dbraw/zinc/89/44/11/1067894411.db2.gz KGFIFBCZYIWJSO-OAQYLSRUSA-N 2 1 461.699 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001303366208 1067894420 /nfs/dbraw/zinc/89/44/20/1067894420.db2.gz KGFIFBCZYIWJSO-OAQYLSRUSA-N 2 1 461.699 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001303366208 1067894428 /nfs/dbraw/zinc/89/44/28/1067894428.db2.gz KGFIFBCZYIWJSO-OAQYLSRUSA-N 2 1 461.699 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001303366782 1067895743 /nfs/dbraw/zinc/89/57/43/1067895743.db2.gz YGRBVLVYTDSEGB-UHFFFAOYSA-N 2 1 487.718 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001303366782 1067895751 /nfs/dbraw/zinc/89/57/51/1067895751.db2.gz YGRBVLVYTDSEGB-UHFFFAOYSA-N 2 1 487.718 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC[NH+]1CCc2sccc2C1 ZINC001303366782 1067895757 /nfs/dbraw/zinc/89/57/57/1067895757.db2.gz YGRBVLVYTDSEGB-UHFFFAOYSA-N 2 1 487.718 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC[NH+]1CCc2sccc2C1 ZINC001303366782 1067895769 /nfs/dbraw/zinc/89/57/69/1067895769.db2.gz YGRBVLVYTDSEGB-UHFFFAOYSA-N 2 1 487.718 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303408221 1067934898 /nfs/dbraw/zinc/93/48/98/1067934898.db2.gz PUPKKMGPKCSMGN-IFMALSPDSA-N 2 1 479.629 3.023 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303408221 1067934903 /nfs/dbraw/zinc/93/49/03/1067934903.db2.gz PUPKKMGPKCSMGN-IFMALSPDSA-N 2 1 479.629 3.023 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001303410319 1067936531 /nfs/dbraw/zinc/93/65/31/1067936531.db2.gz SUGLAMZSVUNIFA-OAQYLSRUSA-N 2 1 487.718 3.455 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303410319 1067936536 /nfs/dbraw/zinc/93/65/36/1067936536.db2.gz SUGLAMZSVUNIFA-OAQYLSRUSA-N 2 1 487.718 3.455 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304924810 1067967789 /nfs/dbraw/zinc/96/77/89/1067967789.db2.gz KTHPKJXPEUADSX-GOTSBHOMSA-N 2 1 473.710 3.193 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304929673 1067978405 /nfs/dbraw/zinc/97/84/05/1067978405.db2.gz XYHKCJYJMRPRMJ-XPWALMASSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304929673 1067978408 /nfs/dbraw/zinc/97/84/08/1067978408.db2.gz XYHKCJYJMRPRMJ-XPWALMASSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304929673 1067978412 /nfs/dbraw/zinc/97/84/12/1067978412.db2.gz XYHKCJYJMRPRMJ-XPWALMASSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304929673 1067978416 /nfs/dbraw/zinc/97/84/16/1067978416.db2.gz XYHKCJYJMRPRMJ-XPWALMASSA-N 2 1 476.710 3.435 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001303462540 1067981832 /nfs/dbraw/zinc/98/18/32/1067981832.db2.gz FQRQIIYNMQTSJT-UHFFFAOYSA-N 2 1 467.662 3.003 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303463518 1067982666 /nfs/dbraw/zinc/98/26/66/1067982666.db2.gz ULNODFDVBKJNHM-HXUWFJFHSA-N 2 1 468.650 3.157 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303463698 1067983039 /nfs/dbraw/zinc/98/30/39/1067983039.db2.gz WVYXHRQAEHIMCJ-OAQYLSRUSA-N 2 1 490.656 3.413 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001303465390 1067984397 /nfs/dbraw/zinc/98/43/97/1067984397.db2.gz UPAFJXAPEALXHA-SFHVURJKSA-N 2 1 491.478 3.395 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001303465390 1067984406 /nfs/dbraw/zinc/98/44/06/1067984406.db2.gz UPAFJXAPEALXHA-SFHVURJKSA-N 2 1 491.478 3.395 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303466523 1067985737 /nfs/dbraw/zinc/98/57/37/1067985737.db2.gz QWVMXOYPIQZUNI-BGYRXZFFSA-N 2 1 460.692 3.397 20 0 JGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC001303486599 1068008999 /nfs/dbraw/zinc/00/89/99/1068008999.db2.gz NULLCBVEOSOKEM-VWLOTQADSA-N 2 1 450.627 3.034 20 0 JGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC001303486599 1068009012 /nfs/dbraw/zinc/00/90/12/1068009012.db2.gz NULLCBVEOSOKEM-VWLOTQADSA-N 2 1 450.627 3.034 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503572 1068035103 /nfs/dbraw/zinc/03/51/03/1068035103.db2.gz SPLZRRQORPKQCH-VWLOTQADSA-N 2 1 462.683 3.114 20 0 JGADMP C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015476 1068058074 /nfs/dbraw/zinc/05/80/74/1068058074.db2.gz JQMPQBXCQOOZDA-NHCUHLMSSA-N 2 1 459.683 3.052 20 0 JGADMP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018712 1068064193 /nfs/dbraw/zinc/06/41/93/1068064193.db2.gz IXJGFQRZZUMITQ-YADHBBJMSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018712 1068064206 /nfs/dbraw/zinc/06/42/06/1068064206.db2.gz IXJGFQRZZUMITQ-YADHBBJMSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019713 1068065966 /nfs/dbraw/zinc/06/59/66/1068065966.db2.gz RGOQQKXWOZJZBI-YADHBBJMSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@@H]1CCCC[NH+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305019713 1068065982 /nfs/dbraw/zinc/06/59/82/1068065982.db2.gz RGOQQKXWOZJZBI-YADHBBJMSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@@H]1CCCC[NH+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305019713 1068065998 /nfs/dbraw/zinc/06/59/98/1068065998.db2.gz RGOQQKXWOZJZBI-YADHBBJMSA-N 2 1 494.750 3.145 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305024395 1068078020 /nfs/dbraw/zinc/07/80/20/1068078020.db2.gz YVUCPELJTZGXRK-IRLDBZIGSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305024395 1068078032 /nfs/dbraw/zinc/07/80/32/1068078032.db2.gz YVUCPELJTZGXRK-IRLDBZIGSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305024395 1068078041 /nfs/dbraw/zinc/07/80/41/1068078041.db2.gz YVUCPELJTZGXRK-IRLDBZIGSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305028410 1068085025 /nfs/dbraw/zinc/08/50/25/1068085025.db2.gz FZIXOEGPCCONOH-VQTJNVASSA-N 2 1 487.718 3.357 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001303572236 1068097699 /nfs/dbraw/zinc/09/76/99/1068097699.db2.gz ZTQBHVBKDDPQRY-UHFFFAOYSA-N 2 1 458.626 3.041 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305043551 1068099844 /nfs/dbraw/zinc/09/98/44/1068099844.db2.gz SJCOIGLKGQFRFM-JOCHJYFZSA-N 2 1 473.710 3.383 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050143 1068111795 /nfs/dbraw/zinc/11/17/95/1068111795.db2.gz SNCJQAOKVFMHNI-FYYLOGMGSA-N 2 1 454.663 3.163 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050144 1068111841 /nfs/dbraw/zinc/11/18/41/1068111841.db2.gz SNCJQAOKVFMHNI-GGAORHGYSA-N 2 1 454.663 3.163 20 0 JGADMP 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 1068115089 /nfs/dbraw/zinc/11/50/89/1068115089.db2.gz ZJADYNYSPTVQQN-FDFHNCONSA-N 2 1 489.709 3.311 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063990 1068134575 /nfs/dbraw/zinc/13/45/75/1068134575.db2.gz JTCXQZHLMPTIPS-PKTZIBPZSA-N 2 1 481.689 3.247 20 0 JGADMP C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001305065909 1068137486 /nfs/dbraw/zinc/13/74/86/1068137486.db2.gz JEBCGXTWECFCRH-QFIPXVFZSA-N 2 1 481.689 3.203 20 0 JGADMP 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 1068189446 /nfs/dbraw/zinc/18/94/46/1068189446.db2.gz SKCQDSAPRDQWEX-VSKRKVRLSA-N 2 1 476.710 3.371 20 0 JGADMP C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001305114234 1068191160 /nfs/dbraw/zinc/19/11/60/1068191160.db2.gz QRXLDBUDFMKGAQ-OYRHEFFESA-N 2 1 484.693 3.181 20 0 JGADMP C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305115652 1068194349 /nfs/dbraw/zinc/19/43/49/1068194349.db2.gz ZGZHARQYGFPUHS-SZPZYZBQSA-N 2 1 499.704 3.023 20 0 JGADMP C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305115652 1068194353 /nfs/dbraw/zinc/19/43/53/1068194353.db2.gz ZGZHARQYGFPUHS-SZPZYZBQSA-N 2 1 499.704 3.023 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305125715 1068212795 /nfs/dbraw/zinc/21/27/95/1068212795.db2.gz ZTVMZAMOKCPAQT-NHCUHLMSSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001305125715 1068212803 /nfs/dbraw/zinc/21/28/03/1068212803.db2.gz ZTVMZAMOKCPAQT-NHCUHLMSSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001305125715 1068212809 /nfs/dbraw/zinc/21/28/09/1068212809.db2.gz ZTVMZAMOKCPAQT-NHCUHLMSSA-N 2 1 473.710 3.237 20 0 JGADMP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001303691982 1068232250 /nfs/dbraw/zinc/23/22/50/1068232250.db2.gz NGSQANRYRBPWTN-INIZCTEOSA-N 2 1 490.425 3.447 20 0 JGADMP C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303734429 1068290740 /nfs/dbraw/zinc/29/07/40/1068290740.db2.gz INZADYZCQDIKAZ-YADHBBJMSA-N 2 1 454.663 3.093 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752812 1068314183 /nfs/dbraw/zinc/31/41/83/1068314183.db2.gz UDBJGQJIRLQULW-ATIYNZHBSA-N 2 1 476.710 3.361 20 0 JGADMP C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC001303753082 1068314724 /nfs/dbraw/zinc/31/47/24/1068314724.db2.gz RDCVRENYTCDMOQ-NRFANRHFSA-N 2 1 455.651 3.009 20 0 JGADMP C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC001303753082 1068314735 /nfs/dbraw/zinc/31/47/35/1068314735.db2.gz RDCVRENYTCDMOQ-NRFANRHFSA-N 2 1 455.651 3.009 20 0 JGADMP C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303800165 1068393684 /nfs/dbraw/zinc/39/36/84/1068393684.db2.gz WJYNBKUSHVKXJS-BHIFYINESA-N 2 1 494.688 3.353 20 0 JGADMP C[C@@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303800165 1068393700 /nfs/dbraw/zinc/39/37/00/1068393700.db2.gz WJYNBKUSHVKXJS-BHIFYINESA-N 2 1 494.688 3.353 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305398414 1068640706 /nfs/dbraw/zinc/64/07/06/1068640706.db2.gz LOICWQFDMPAYRI-QFIPXVFZSA-N 2 1 498.716 3.344 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305398414 1068640708 /nfs/dbraw/zinc/64/07/08/1068640708.db2.gz LOICWQFDMPAYRI-QFIPXVFZSA-N 2 1 498.716 3.344 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305520222 1068771421 /nfs/dbraw/zinc/77/14/21/1068771421.db2.gz UOIIELMSQHTTPS-NZQKXSOJSA-N 2 1 454.663 3.327 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540038 1068808218 /nfs/dbraw/zinc/80/82/18/1068808218.db2.gz HXGMUNVBRPBAEJ-OYRHQHFDSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001305540038 1068808239 /nfs/dbraw/zinc/80/82/39/1068808239.db2.gz HXGMUNVBRPBAEJ-OYRHQHFDSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001305540038 1068808255 /nfs/dbraw/zinc/80/82/55/1068808255.db2.gz HXGMUNVBRPBAEJ-OYRHQHFDSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305540033 1068808852 /nfs/dbraw/zinc/80/88/52/1068808852.db2.gz HXGMUNVBRPBAEJ-ARNLJNQMSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001305540033 1068808861 /nfs/dbraw/zinc/80/88/61/1068808861.db2.gz HXGMUNVBRPBAEJ-ARNLJNQMSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001305540033 1068808870 /nfs/dbraw/zinc/80/88/70/1068808870.db2.gz HXGMUNVBRPBAEJ-ARNLJNQMSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544833 1068821734 /nfs/dbraw/zinc/82/17/34/1068821734.db2.gz RTGYTMLYKLVWBH-LOSJGSFVSA-N 2 1 489.753 3.145 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305602163 1068864893 /nfs/dbraw/zinc/86/48/93/1068864893.db2.gz APLHQJYLJYPWNX-NHCUHLMSSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001305602163 1068864904 /nfs/dbraw/zinc/86/49/04/1068864904.db2.gz APLHQJYLJYPWNX-NHCUHLMSSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305602163 1068864920 /nfs/dbraw/zinc/86/49/20/1068864920.db2.gz APLHQJYLJYPWNX-NHCUHLMSSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305602166 1068865093 /nfs/dbraw/zinc/86/50/93/1068865093.db2.gz APLHQJYLJYPWNX-SFTDATJTSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001305602166 1068865107 /nfs/dbraw/zinc/86/51/07/1068865107.db2.gz APLHQJYLJYPWNX-SFTDATJTSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305602166 1068865117 /nfs/dbraw/zinc/86/51/17/1068865117.db2.gz APLHQJYLJYPWNX-SFTDATJTSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001305602568 1068866485 /nfs/dbraw/zinc/86/64/85/1068866485.db2.gz COAFWTQDIYAKSE-JOCHJYFZSA-N 2 1 490.656 3.368 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305602568 1068866499 /nfs/dbraw/zinc/86/64/99/1068866499.db2.gz COAFWTQDIYAKSE-JOCHJYFZSA-N 2 1 490.656 3.368 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305602568 1068866515 /nfs/dbraw/zinc/86/65/15/1068866515.db2.gz COAFWTQDIYAKSE-JOCHJYFZSA-N 2 1 490.656 3.368 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001305607846 1068877173 /nfs/dbraw/zinc/87/71/73/1068877173.db2.gz ZLWWDPSAGAZHBJ-HXUWFJFHSA-N 2 1 468.650 3.110 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305608880 1068879575 /nfs/dbraw/zinc/87/95/75/1068879575.db2.gz VBCQRIBKTUEYJH-FQEVSTJZSA-N 2 1 488.080 3.073 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305613568 1068888934 /nfs/dbraw/zinc/88/89/34/1068888934.db2.gz WMUJIVCHVUNHNQ-SFTDATJTSA-N 2 1 470.662 3.374 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305613568 1068888942 /nfs/dbraw/zinc/88/89/42/1068888942.db2.gz WMUJIVCHVUNHNQ-SFTDATJTSA-N 2 1 470.662 3.374 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305613568 1068888952 /nfs/dbraw/zinc/88/89/52/1068888952.db2.gz WMUJIVCHVUNHNQ-SFTDATJTSA-N 2 1 470.662 3.374 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305618702 1068901390 /nfs/dbraw/zinc/90/13/90/1068901390.db2.gz DGPADDZSDKYEJB-AZUAARDMSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305618702 1068901393 /nfs/dbraw/zinc/90/13/93/1068901393.db2.gz DGPADDZSDKYEJB-AZUAARDMSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305618702 1068901400 /nfs/dbraw/zinc/90/14/00/1068901400.db2.gz DGPADDZSDKYEJB-AZUAARDMSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305618702 1068901408 /nfs/dbraw/zinc/90/14/08/1068901408.db2.gz DGPADDZSDKYEJB-AZUAARDMSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nnc1C(C)(C)C ZINC001305624154 1068916275 /nfs/dbraw/zinc/91/62/75/1068916275.db2.gz ZQWJKFRJEZMNFO-OAQYLSRUSA-N 2 1 475.726 3.077 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nnc1C(C)(C)C ZINC001305624154 1068916286 /nfs/dbraw/zinc/91/62/86/1068916286.db2.gz ZQWJKFRJEZMNFO-OAQYLSRUSA-N 2 1 475.726 3.077 20 0 JGADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673188 1069022760 /nfs/dbraw/zinc/02/27/60/1069022760.db2.gz QXOJNQZQAQWJCY-ICDZXHCJSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673188 1069022774 /nfs/dbraw/zinc/02/27/74/1069022774.db2.gz QXOJNQZQAQWJCY-ICDZXHCJSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673188 1069022788 /nfs/dbraw/zinc/02/27/88/1069022788.db2.gz QXOJNQZQAQWJCY-ICDZXHCJSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001305676210 1069029178 /nfs/dbraw/zinc/02/91/78/1069029178.db2.gz GDZFVBFRLOYCKB-DHLKQENFSA-N 2 1 472.703 3.026 20 0 JGADMP CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001305704966 1069092008 /nfs/dbraw/zinc/09/20/08/1069092008.db2.gz HGIMYOHAUSBLQK-DEOSSOPVSA-N 2 1 479.677 3.152 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC001305715629 1069121002 /nfs/dbraw/zinc/12/10/02/1069121002.db2.gz NGGKDAQJIZIHKH-PUHATCMVSA-N 2 1 462.683 3.187 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001305718728 1069126710 /nfs/dbraw/zinc/12/67/10/1069126710.db2.gz ZYWXXFLTORWZCT-LGKPFJOYSA-N 2 1 462.683 3.043 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001305718729 1069126783 /nfs/dbraw/zinc/12/67/83/1069126783.db2.gz ZYWXXFLTORWZCT-MALNDZBISA-N 2 1 462.683 3.043 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[NH+](CC)C[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305738050 1069161588 /nfs/dbraw/zinc/16/15/88/1069161588.db2.gz KUVIAELVUGXLKO-WOJBJXKFSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305738050 1069161598 /nfs/dbraw/zinc/16/15/98/1069161598.db2.gz KUVIAELVUGXLKO-WOJBJXKFSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305738050 1069161602 /nfs/dbraw/zinc/16/16/02/1069161602.db2.gz KUVIAELVUGXLKO-WOJBJXKFSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744085 1069182513 /nfs/dbraw/zinc/18/25/13/1069182513.db2.gz ZTSHTHPOKHEVMM-LEWJYISDSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)n1C[C@@H](C)[NH+](C)C ZINC001305765077 1069235276 /nfs/dbraw/zinc/23/52/76/1069235276.db2.gz SBPVXGNVHDMKKX-FZOAFFARSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)n1C[C@@H](C)[NH+](C)C ZINC001305765077 1069235290 /nfs/dbraw/zinc/23/52/90/1069235290.db2.gz SBPVXGNVHDMKKX-FZOAFFARSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305771568 1069248798 /nfs/dbraw/zinc/24/87/98/1069248798.db2.gz BAMRLGJXYGRMFO-OAQYLSRUSA-N 2 1 463.715 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305778283 1069265566 /nfs/dbraw/zinc/26/55/66/1069265566.db2.gz AOZVDCYRXYBBMY-HXUWFJFHSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305786145 1069289496 /nfs/dbraw/zinc/28/94/96/1069289496.db2.gz RCSBTMNBYTZLMU-UGKGYDQZSA-N 2 1 455.651 3.030 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787455 1069294504 /nfs/dbraw/zinc/29/45/04/1069294504.db2.gz AFXCTEKMLMCAJT-PKTZIBPZSA-N 2 1 485.652 3.313 20 0 JGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4Cc5ncnn5C5(CC[NH2+]CC5)C4)c23)C1 ZINC001164414958 718885745 /nfs/dbraw/zinc/88/57/45/718885745.db2.gz BLIIBXGRROLEBZ-GOSISDBHSA-N 2 1 492.697 3.492 20 0 JGADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164426054 718916365 /nfs/dbraw/zinc/91/63/65/718916365.db2.gz WCTNXQZADSZBDJ-SIBVEZHUSA-N 2 1 485.698 3.387 20 0 JGADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620360 719008369 /nfs/dbraw/zinc/00/83/69/719008369.db2.gz YNRBQYPTXDHVFR-RBJSKKJNSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620360 719008375 /nfs/dbraw/zinc/00/83/75/719008375.db2.gz YNRBQYPTXDHVFR-RBJSKKJNSA-N 2 1 475.637 3.184 20 0 JGADMP Cc1nc(N2CCCC2)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164681393 719658526 /nfs/dbraw/zinc/65/85/26/719658526.db2.gz NNHBVHZKKTZYHU-QFIPXVFZSA-N 2 1 476.669 3.479 20 0 JGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164715545 720107594 /nfs/dbraw/zinc/10/75/94/720107594.db2.gz HUXSBKSGXLWZDH-NRFANRHFSA-N 2 1 471.049 3.500 20 0 JGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164714870 720153247 /nfs/dbraw/zinc/15/32/47/720153247.db2.gz ZYQBXSGZSVTRCE-HSZRJFAPSA-N 3 1 465.642 3.457 20 0 JGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164714870 720153252 /nfs/dbraw/zinc/15/32/52/720153252.db2.gz ZYQBXSGZSVTRCE-HSZRJFAPSA-N 2 1 465.642 3.457 20 0 JGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164714870 720153259 /nfs/dbraw/zinc/15/32/59/720153259.db2.gz ZYQBXSGZSVTRCE-HSZRJFAPSA-N 2 1 465.642 3.457 20 0 JGADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164840362 720702611 /nfs/dbraw/zinc/70/26/11/720702611.db2.gz PZGJBGZSUGMQIB-HSZRJFAPSA-N 2 1 479.625 3.126 20 0 JGADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164840362 720702620 /nfs/dbraw/zinc/70/26/20/720702620.db2.gz PZGJBGZSUGMQIB-HSZRJFAPSA-N 2 1 479.625 3.126 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737861 720762597 /nfs/dbraw/zinc/76/25/97/720762597.db2.gz DCRYEZOVVLGDNB-RTBURBONSA-N 2 1 465.627 3.036 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737861 720762604 /nfs/dbraw/zinc/76/26/04/720762604.db2.gz DCRYEZOVVLGDNB-RTBURBONSA-N 2 1 465.627 3.036 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740952 720763867 /nfs/dbraw/zinc/76/38/67/720763867.db2.gz LNOZFBQQOOKLCV-RBUKOAKNSA-N 2 1 467.643 3.282 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740952 720763874 /nfs/dbraw/zinc/76/38/74/720763874.db2.gz LNOZFBQQOOKLCV-RBUKOAKNSA-N 2 1 467.643 3.282 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739994 720833463 /nfs/dbraw/zinc/83/34/63/720833463.db2.gz BKUVDGBRTSXGJC-BHDDXSALSA-N 2 1 456.038 3.302 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739994 720833464 /nfs/dbraw/zinc/83/34/64/720833464.db2.gz BKUVDGBRTSXGJC-BHDDXSALSA-N 2 1 456.038 3.302 20 0 JGADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164859117 720875885 /nfs/dbraw/zinc/87/58/85/720875885.db2.gz LQFGNLINYBLDIR-NHCUHLMSSA-N 2 1 473.687 3.468 20 0 JGADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164859117 720875887 /nfs/dbraw/zinc/87/58/87/720875887.db2.gz LQFGNLINYBLDIR-NHCUHLMSSA-N 2 1 473.687 3.468 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757906 720893032 /nfs/dbraw/zinc/89/30/32/720893032.db2.gz WHRZWWAURURJCK-YIXXDRMTSA-N 2 1 476.625 3.228 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757906 720893034 /nfs/dbraw/zinc/89/30/34/720893034.db2.gz WHRZWWAURURJCK-YIXXDRMTSA-N 2 1 476.625 3.228 20 0 JGADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885523 721453608 /nfs/dbraw/zinc/45/36/08/721453608.db2.gz FBPXRUJSAHAWQQ-ZJSXRUAMSA-N 2 1 496.046 3.422 20 0 JGADMP c1ccc(C[N@H+]2CCc3nc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@H]45)c4ncccn4)ccc3C2)cc1 ZINC001164793274 721484285 /nfs/dbraw/zinc/48/42/85/721484285.db2.gz UBTWRSPIHGKRFD-CUYJMHBOSA-N 2 1 456.594 3.193 20 0 JGADMP CCc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(N2CCOCC2)[nH+]1 ZINC001164939687 721928660 /nfs/dbraw/zinc/92/86/60/721928660.db2.gz OMIKLBQBDMTTFZ-UHFFFAOYSA-N 2 1 451.615 3.055 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960595 722025549 /nfs/dbraw/zinc/02/55/49/722025549.db2.gz LEFSJWAGWASMPG-AMGIVPHBSA-N 2 1 471.609 3.183 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960595 722025551 /nfs/dbraw/zinc/02/55/51/722025551.db2.gz LEFSJWAGWASMPG-AMGIVPHBSA-N 2 1 471.609 3.183 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001298239275 1064143336 /nfs/dbraw/zinc/14/33/36/1064143336.db2.gz GUANFEYRHDIRNX-XZOQPEGZSA-N 2 1 470.662 3.227 20 0 JGADMP C[N@H+]1CC[C@@](O)(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298880617 1064685758 /nfs/dbraw/zinc/68/57/58/1064685758.db2.gz WPHLVRYCMPVGNH-DEOSSOPVSA-N 2 1 461.054 3.223 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C[C@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844692 1065043848 /nfs/dbraw/zinc/04/38/48/1065043848.db2.gz UYCJHUSEKUPMLF-ZVDOUQERSA-N 2 1 456.635 3.364 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299908735 1065153442 /nfs/dbraw/zinc/15/34/42/1065153442.db2.gz ATEXPGVQHPNUFX-LJQANCHMSA-N 2 1 477.053 3.106 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001299990283 1065293995 /nfs/dbraw/zinc/29/39/95/1065293995.db2.gz GBTFBXWPDIDRSZ-OAQYLSRUSA-N 2 1 463.630 3.238 20 0 JGADMP Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454714 1065505686 /nfs/dbraw/zinc/50/56/86/1065505686.db2.gz ZAKKDWQVANNCKQ-RTWAWAEBSA-N 2 1 458.676 3.130 20 0 JGADMP COC[C@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300979073 1065789223 /nfs/dbraw/zinc/78/92/23/1065789223.db2.gz UIXYQDRUSTYCLB-XMMPIXPASA-N 2 1 497.732 3.236 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001301607722 1066455270 /nfs/dbraw/zinc/45/52/70/1066455270.db2.gz PMXQUJTXVBIYFL-UHFFFAOYSA-N 2 1 465.017 3.380 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301610909 1066458915 /nfs/dbraw/zinc/45/89/15/1066458915.db2.gz YIJIHGRVGQNSOH-UHFFFAOYSA-N 2 1 455.651 3.009 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302068823 1066472674 /nfs/dbraw/zinc/47/26/74/1066472674.db2.gz PYIBJWOEXVOIBR-TZBSWOFLSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302072199 1066482043 /nfs/dbraw/zinc/48/20/43/1066482043.db2.gz LHGMVDUTQUJDRH-QFIPXVFZSA-N 2 1 462.683 3.189 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001301723274 1066634125 /nfs/dbraw/zinc/63/41/25/1066634125.db2.gz YBKXHDDZFYPMKZ-UHFFFAOYSA-N 2 1 494.482 3.069 20 0 JGADMP COCC[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301723274 1066634133 /nfs/dbraw/zinc/63/41/33/1066634133.db2.gz YBKXHDDZFYPMKZ-UHFFFAOYSA-N 2 1 494.482 3.069 20 0 JGADMP COCC[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301723274 1066634139 /nfs/dbraw/zinc/63/41/39/1066634139.db2.gz YBKXHDDZFYPMKZ-UHFFFAOYSA-N 2 1 494.482 3.069 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302191098 1066673522 /nfs/dbraw/zinc/67/35/22/1066673522.db2.gz QJGLHKKFOHZCAQ-QFIPXVFZSA-N 2 1 469.678 3.135 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001302200678 1066694747 /nfs/dbraw/zinc/69/47/47/1066694747.db2.gz QUGHPDILXIBFQC-UHFFFAOYSA-N 2 1 468.690 3.221 20 0 JGADMP CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302201707 1066696784 /nfs/dbraw/zinc/69/67/84/1066696784.db2.gz ASDHZAJEUHNSJL-FQEVSTJZSA-N 2 1 490.643 3.305 20 0 JGADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301767837 1066710502 /nfs/dbraw/zinc/71/05/02/1066710502.db2.gz RNOISHARCQQEOA-WIOPSUGQSA-N 2 1 487.737 3.118 20 0 JGADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001301768799 1066712408 /nfs/dbraw/zinc/71/24/08/1066712408.db2.gz YTFWNBCQQSWPSZ-LADGPHEKSA-N 2 1 473.710 3.047 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@@H+](C)C(C)C ZINC001302282585 1066852333 /nfs/dbraw/zinc/85/23/33/1066852333.db2.gz FBQPNGVOOCQUFJ-VJTSUQJLSA-N 2 1 484.689 3.443 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[NH+](C)C(C)C ZINC001302282585 1066852339 /nfs/dbraw/zinc/85/23/39/1066852339.db2.gz FBQPNGVOOCQUFJ-VJTSUQJLSA-N 2 1 484.689 3.443 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[NH+](C)C(C)C ZINC001302282585 1066852347 /nfs/dbraw/zinc/85/23/47/1066852347.db2.gz FBQPNGVOOCQUFJ-VJTSUQJLSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301878208 1066881771 /nfs/dbraw/zinc/88/17/71/1066881771.db2.gz ULCFCRGXLJGVKG-JTHBVZDNSA-N 2 1 470.662 3.288 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001301886106 1066895804 /nfs/dbraw/zinc/89/58/04/1066895804.db2.gz RMPHSMOGSJJYNG-YADHBBJMSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301888790 1066904743 /nfs/dbraw/zinc/90/47/43/1066904743.db2.gz PITCBGNWZGEOTQ-VQTJNVASSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001301889470 1066907371 /nfs/dbraw/zinc/90/73/71/1066907371.db2.gz ZNAAOTMOEGIBNK-XLIONFOSSA-N 2 1 458.632 3.368 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001301893056 1066914149 /nfs/dbraw/zinc/91/41/49/1066914149.db2.gz ZVTCPYMBDBOWMK-FPOVZHCZSA-N 2 1 454.644 3.466 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001301897216 1066921194 /nfs/dbraw/zinc/92/11/94/1066921194.db2.gz ULPBMIRYOYKTNL-HXUWFJFHSA-N 2 1 458.994 3.263 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301898326 1066922231 /nfs/dbraw/zinc/92/22/31/1066922231.db2.gz LBQILEVSHOYVPY-OFNKIYASSA-N 2 1 451.619 3.041 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301918357 1066948138 /nfs/dbraw/zinc/94/81/38/1066948138.db2.gz IQYFGSZJUGNFKU-PMACEKPBSA-N 2 1 489.734 3.159 20 0 JGADMP 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 1067182974 /nfs/dbraw/zinc/18/29/74/1067182974.db2.gz VHPHADULWLAJFW-NBGIEHNGSA-N 2 1 491.080 3.285 20 0 JGADMP CSC1(Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC[NH+](C)CC1 ZINC001302625948 1067256016 /nfs/dbraw/zinc/25/60/16/1067256016.db2.gz IVJRAUQFRWOMHA-UHFFFAOYSA-N 2 1 478.751 3.385 20 0 JGADMP CC(C)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302667994 1067295140 /nfs/dbraw/zinc/29/51/40/1067295140.db2.gz HVQLZRHCCDDVJM-XMMPIXPASA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001302667994 1067295145 /nfs/dbraw/zinc/29/51/45/1067295145.db2.gz HVQLZRHCCDDVJM-XMMPIXPASA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001302667994 1067295150 /nfs/dbraw/zinc/29/51/50/1067295150.db2.gz HVQLZRHCCDDVJM-XMMPIXPASA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691792 1067316921 /nfs/dbraw/zinc/31/69/21/1067316921.db2.gz FUDQYPOELDOPOR-LADGPHEKSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691792 1067316931 /nfs/dbraw/zinc/31/69/31/1067316931.db2.gz FUDQYPOELDOPOR-LADGPHEKSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691792 1067316942 /nfs/dbraw/zinc/31/69/42/1067316942.db2.gz FUDQYPOELDOPOR-LADGPHEKSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302691796 1067316983 /nfs/dbraw/zinc/31/69/83/1067316983.db2.gz FUDQYPOELDOPOR-VWNXMTODSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001302691796 1067316993 /nfs/dbraw/zinc/31/69/93/1067316993.db2.gz FUDQYPOELDOPOR-VWNXMTODSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC001302691796 1067317002 /nfs/dbraw/zinc/31/70/02/1067317002.db2.gz FUDQYPOELDOPOR-VWNXMTODSA-N 2 1 481.689 3.055 20 0 JGADMP Cc1ccc([C@@H](Cn2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304278089 1067317313 /nfs/dbraw/zinc/31/73/13/1067317313.db2.gz JVQOUWHCCJZPOU-JTHBVZDNSA-N 2 1 454.663 3.345 20 0 JGADMP CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001302818558 1067406069 /nfs/dbraw/zinc/40/60/69/1067406069.db2.gz NHEGLJOWRIGUNQ-NRFANRHFSA-N 2 1 494.688 3.089 20 0 JGADMP CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001302821029 1067409263 /nfs/dbraw/zinc/40/92/63/1067409263.db2.gz TVATUONUBMTBAJ-NHCUHLMSSA-N 2 1 490.643 3.282 20 0 JGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001302866784 1067447877 /nfs/dbraw/zinc/44/78/77/1067447877.db2.gz QYFOKJAUIHGAAN-JOCHJYFZSA-N 2 1 454.663 3.399 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001302901854 1067485982 /nfs/dbraw/zinc/48/59/82/1067485982.db2.gz RQTFLGAPSYAJCK-KDURUIRLSA-N 2 1 479.094 3.193 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)C[C@H](C)O1 ZINC001302901854 1067485984 /nfs/dbraw/zinc/48/59/84/1067485984.db2.gz RQTFLGAPSYAJCK-KDURUIRLSA-N 2 1 479.094 3.193 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302961113 1067532245 /nfs/dbraw/zinc/53/22/45/1067532245.db2.gz INCPEWIALRHVRB-VWNXMTODSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001302961113 1067532252 /nfs/dbraw/zinc/53/22/52/1067532252.db2.gz INCPEWIALRHVRB-VWNXMTODSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001302961113 1067532261 /nfs/dbraw/zinc/53/22/61/1067532261.db2.gz INCPEWIALRHVRB-VWNXMTODSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001302961318 1067532730 /nfs/dbraw/zinc/53/27/30/1067532730.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001302961318 1067532737 /nfs/dbraw/zinc/53/27/37/1067532737.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC[NH+]1CCOCC1(C)C ZINC001302961318 1067532742 /nfs/dbraw/zinc/53/27/42/1067532742.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC[NH+]1CCOCC1(C)C ZINC001302961318 1067532748 /nfs/dbraw/zinc/53/27/48/1067532748.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302964802 1067535051 /nfs/dbraw/zinc/53/50/51/1067535051.db2.gz JLSKXIVTPMUHIS-PKTZIBPZSA-N 2 1 458.626 3.220 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCCC(C)(C)C2)n1 ZINC001304460068 1067539360 /nfs/dbraw/zinc/53/93/60/1067539360.db2.gz PBLQZHNSNFGNOB-UHFFFAOYSA-N 2 1 469.678 3.318 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCCC(C)(C)C2)n1 ZINC001304460068 1067539368 /nfs/dbraw/zinc/53/93/68/1067539368.db2.gz PBLQZHNSNFGNOB-UHFFFAOYSA-N 2 1 469.678 3.318 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001304460068 1067539375 /nfs/dbraw/zinc/53/93/75/1067539375.db2.gz PBLQZHNSNFGNOB-UHFFFAOYSA-N 2 1 469.678 3.318 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304460068 1067539381 /nfs/dbraw/zinc/53/93/81/1067539381.db2.gz PBLQZHNSNFGNOB-UHFFFAOYSA-N 2 1 469.678 3.318 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304468665 1067547570 /nfs/dbraw/zinc/54/75/70/1067547570.db2.gz HCGHWHPBODHIEE-UHFFFAOYSA-N 2 1 482.721 3.231 20 0 JGADMP Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001304478816 1067557938 /nfs/dbraw/zinc/55/79/38/1067557938.db2.gz MIAPJYOFSHFISX-SZPZYZBQSA-N 2 1 469.678 3.314 20 0 JGADMP Cc1ccccc1-c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304535549 1067606131 /nfs/dbraw/zinc/60/61/31/1067606131.db2.gz PXYAFCUUOUNSLK-DEOSSOPVSA-N 2 1 495.716 3.364 20 0 JGADMP Cc1ccccc1-c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001304535549 1067606134 /nfs/dbraw/zinc/60/61/34/1067606134.db2.gz PXYAFCUUOUNSLK-DEOSSOPVSA-N 2 1 495.716 3.364 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304560355 1067629894 /nfs/dbraw/zinc/62/98/94/1067629894.db2.gz UFGSSGQWCZBYGE-VWLOTQADSA-N 2 1 495.716 3.039 20 0 JGADMP CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001303095650 1067632090 /nfs/dbraw/zinc/63/20/90/1067632090.db2.gz PMAUCHBSLILLME-MHZLTWQESA-N 2 1 484.689 3.403 20 0 JGADMP 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 1067719554 /nfs/dbraw/zinc/71/95/54/1067719554.db2.gz UQHYOYIVSFNPRD-ZEVJAHDQSA-N 2 1 476.710 3.217 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303188713 1067722639 /nfs/dbraw/zinc/72/26/39/1067722639.db2.gz HGDRFMPETDQGKY-QFIPXVFZSA-N 2 1 464.662 3.367 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001303197327 1067731844 /nfs/dbraw/zinc/73/18/44/1067731844.db2.gz PCYFWQCZVYZPNJ-DEOSSOPVSA-N 2 1 490.643 3.282 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001303197328 1067731996 /nfs/dbraw/zinc/73/19/96/1067731996.db2.gz PCYFWQCZVYZPNJ-XMMPIXPASA-N 2 1 490.643 3.282 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303208038 1067746010 /nfs/dbraw/zinc/74/60/10/1067746010.db2.gz WFFQFWTZLUDQIH-RUZDIDTESA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303208038 1067746019 /nfs/dbraw/zinc/74/60/19/1067746019.db2.gz WFFQFWTZLUDQIH-RUZDIDTESA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303208038 1067746024 /nfs/dbraw/zinc/74/60/24/1067746024.db2.gz WFFQFWTZLUDQIH-RUZDIDTESA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)[N@H+](C)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001303254993 1067780263 /nfs/dbraw/zinc/78/02/63/1067780263.db2.gz RTZDRGNKYYIQSP-UHFFFAOYSA-N 2 1 492.672 3.171 20 0 JGADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001303254993 1067780273 /nfs/dbraw/zinc/78/02/73/1067780273.db2.gz RTZDRGNKYYIQSP-UHFFFAOYSA-N 2 1 492.672 3.171 20 0 JGADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001303254993 1067780284 /nfs/dbraw/zinc/78/02/84/1067780284.db2.gz RTZDRGNKYYIQSP-UHFFFAOYSA-N 2 1 492.672 3.171 20 0 JGADMP CC(C)[NH+](C)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001303254993 1067780293 /nfs/dbraw/zinc/78/02/93/1067780293.db2.gz RTZDRGNKYYIQSP-UHFFFAOYSA-N 2 1 492.672 3.171 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303255990 1067782910 /nfs/dbraw/zinc/78/29/10/1067782910.db2.gz GUXKIODGBZFYBL-UHFFFAOYSA-N 2 1 457.667 3.065 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303257911 1067784535 /nfs/dbraw/zinc/78/45/35/1067784535.db2.gz JIGDYZWFWAPIET-QHCPKHFHSA-N 2 1 476.710 3.312 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001303261623 1067788183 /nfs/dbraw/zinc/78/81/83/1067788183.db2.gz PPFKDYSPNSYPMP-AEFFLSMTSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303261623 1067788185 /nfs/dbraw/zinc/78/81/85/1067788185.db2.gz PPFKDYSPNSYPMP-AEFFLSMTSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303261623 1067788190 /nfs/dbraw/zinc/78/81/90/1067788190.db2.gz PPFKDYSPNSYPMP-AEFFLSMTSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001303268343 1067795846 /nfs/dbraw/zinc/79/58/46/1067795846.db2.gz GCIFGSHPXSJFNN-NVXWUHKLSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001303268343 1067795853 /nfs/dbraw/zinc/79/58/53/1067795853.db2.gz GCIFGSHPXSJFNN-NVXWUHKLSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303268343 1067795863 /nfs/dbraw/zinc/79/58/63/1067795863.db2.gz GCIFGSHPXSJFNN-NVXWUHKLSA-N 2 1 450.429 3.049 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001304725036 1067796832 /nfs/dbraw/zinc/79/68/32/1067796832.db2.gz FSUUTUQDOMJQOP-OAQYLSRUSA-N 2 1 458.699 3.224 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001303278620 1067807265 /nfs/dbraw/zinc/80/72/65/1067807265.db2.gz LJTCOUJJGCVYDI-FQEVSTJZSA-N 2 1 474.625 3.026 20 0 JGADMP CC(C)[NH+](C)CCn1c(COc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001303278620 1067807273 /nfs/dbraw/zinc/80/72/73/1067807273.db2.gz LJTCOUJJGCVYDI-FQEVSTJZSA-N 2 1 474.625 3.026 20 0 JGADMP CC(C)[NH+](C)CCn1c(COc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303278620 1067807287 /nfs/dbraw/zinc/80/72/87/1067807287.db2.gz LJTCOUJJGCVYDI-FQEVSTJZSA-N 2 1 474.625 3.026 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[NH+]2CCCO)CC1 ZINC001303307327 1067834803 /nfs/dbraw/zinc/83/48/03/1067834803.db2.gz APNOBVSQRCLJKD-FQEVSTJZSA-N 2 1 461.054 3.366 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303307327 1067834822 /nfs/dbraw/zinc/83/48/22/1067834822.db2.gz APNOBVSQRCLJKD-FQEVSTJZSA-N 2 1 461.054 3.366 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001303307327 1067834840 /nfs/dbraw/zinc/83/48/40/1067834840.db2.gz APNOBVSQRCLJKD-FQEVSTJZSA-N 2 1 461.054 3.366 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304754983 1067837317 /nfs/dbraw/zinc/83/73/17/1067837317.db2.gz URGRXOIWHOTIQD-UHFFFAOYSA-N 2 1 456.683 3.325 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001304762922 1067850514 /nfs/dbraw/zinc/85/05/14/1067850514.db2.gz HDIVKUHHZBPTIV-OAQYLSRUSA-N 2 1 470.710 3.430 20 0 JGADMP Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCC[NH+](C)CCCNC(=O)OC(C)(C)C ZINC001304855711 1067906160 /nfs/dbraw/zinc/90/61/60/1067906160.db2.gz GNDSCUFOFUERMG-FQEVSTJZSA-N 2 1 477.698 3.134 20 0 JGADMP Cc1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304855711 1067906166 /nfs/dbraw/zinc/90/61/66/1067906166.db2.gz GNDSCUFOFUERMG-FQEVSTJZSA-N 2 1 477.698 3.134 20 0 JGADMP Cc1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304855711 1067906172 /nfs/dbraw/zinc/90/61/72/1067906172.db2.gz GNDSCUFOFUERMG-FQEVSTJZSA-N 2 1 477.698 3.134 20 0 JGADMP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304858897 1067908836 /nfs/dbraw/zinc/90/88/36/1067908836.db2.gz BQPYMBNTSCXDIS-DNVJHFABSA-N 2 1 453.679 3.102 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381755 1067910730 /nfs/dbraw/zinc/91/07/30/1067910730.db2.gz LKQBIIKGQNYFJT-ZJSXRUAMSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381755 1067910733 /nfs/dbraw/zinc/91/07/33/1067910733.db2.gz LKQBIIKGQNYFJT-ZJSXRUAMSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001303396715 1067924537 /nfs/dbraw/zinc/92/45/37/1067924537.db2.gz QERBFPJQXBXHRM-UHFFFAOYSA-N 2 1 499.704 3.106 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303407182 1067934121 /nfs/dbraw/zinc/93/41/21/1067934121.db2.gz AZVMHMJDUSPRAK-QFIPXVFZSA-N 2 1 481.689 3.392 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304911990 1067955650 /nfs/dbraw/zinc/95/56/50/1067955650.db2.gz NQSAVONMJXEUNI-YPAWHYETSA-N 2 1 476.710 3.433 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304911990 1067955653 /nfs/dbraw/zinc/95/56/53/1067955653.db2.gz NQSAVONMJXEUNI-YPAWHYETSA-N 2 1 476.710 3.433 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304913267 1067957605 /nfs/dbraw/zinc/95/76/05/1067957605.db2.gz VVJSMZWCOWJXHT-BGYRXZFFSA-N 2 1 454.667 3.458 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001304925436 1067969107 /nfs/dbraw/zinc/96/91/07/1067969107.db2.gz DCGVWSSVFPLDSX-DNVJHFABSA-N 2 1 476.710 3.292 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303462360 1067981475 /nfs/dbraw/zinc/98/14/75/1067981475.db2.gz ABYATZVWKQKHGR-HNNXBMFYSA-N 2 1 464.456 3.485 20 0 JGADMP C[C@@H]1CCC[C@](Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC001304981991 1068022712 /nfs/dbraw/zinc/02/27/12/1068022712.db2.gz CSANTOSVOFDORW-CQAGSAPUSA-N 2 1 471.694 3.340 20 0 JGADMP C[C@@H]1CCC[C@](Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC001304981991 1068022727 /nfs/dbraw/zinc/02/27/27/1068022727.db2.gz CSANTOSVOFDORW-CQAGSAPUSA-N 2 1 471.694 3.340 20 0 JGADMP 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 1068024048 /nfs/dbraw/zinc/02/40/48/1068024048.db2.gz GXLWKQIFLVIOKK-RLWLMLJZSA-N 2 1 475.726 3.483 20 0 JGADMP C[C@@H]1CCC[C@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989272 1068031681 /nfs/dbraw/zinc/03/16/81/1068031681.db2.gz RKSRBAGUKMCWAB-AMGIVPHBSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@@H]1CCC[C@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989272 1068031697 /nfs/dbraw/zinc/03/16/97/1068031697.db2.gz RKSRBAGUKMCWAB-AMGIVPHBSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@@H]1CCC[C@@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989914 1068032005 /nfs/dbraw/zinc/03/20/05/1068032005.db2.gz TUPZRVXNFQVMAG-CJFMBICVSA-N 2 1 457.667 3.331 20 0 JGADMP C[C@@H]1CCC[C@@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989914 1068032020 /nfs/dbraw/zinc/03/20/20/1068032020.db2.gz TUPZRVXNFQVMAG-CJFMBICVSA-N 2 1 457.667 3.331 20 0 JGADMP C[C@@H]1CCC[C@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989917 1068032718 /nfs/dbraw/zinc/03/27/18/1068032718.db2.gz TUPZRVXNFQVMAG-NLFFAJNJSA-N 2 1 457.667 3.331 20 0 JGADMP C[C@@H]1CCC[C@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989917 1068032728 /nfs/dbraw/zinc/03/27/28/1068032728.db2.gz TUPZRVXNFQVMAG-NLFFAJNJSA-N 2 1 457.667 3.331 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303503272 1068034387 /nfs/dbraw/zinc/03/43/87/1068034387.db2.gz BZSDCSBYTOKMEF-HFZDXXHNSA-N 2 1 476.710 3.360 20 0 JGADMP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018203 1068063252 /nfs/dbraw/zinc/06/32/52/1068063252.db2.gz HLFXLDSNFNLKGM-FCHUYYIVSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018203 1068063264 /nfs/dbraw/zinc/06/32/64/1068063264.db2.gz HLFXLDSNFNLKGM-FCHUYYIVSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305018203 1068063279 /nfs/dbraw/zinc/06/32/79/1068063279.db2.gz HLFXLDSNFNLKGM-FCHUYYIVSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305018203 1068063295 /nfs/dbraw/zinc/06/32/95/1068063295.db2.gz HLFXLDSNFNLKGM-FCHUYYIVSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[N@H+](CCn2c(Cc3ccsc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305048152 1068107249 /nfs/dbraw/zinc/10/72/49/1068107249.db2.gz OHGIMOGUDWSJAY-NJYVYQBISA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305048152 1068107258 /nfs/dbraw/zinc/10/72/58/1068107258.db2.gz OHGIMOGUDWSJAY-NJYVYQBISA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1CCC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305048152 1068107261 /nfs/dbraw/zinc/10/72/61/1068107261.db2.gz OHGIMOGUDWSJAY-NJYVYQBISA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1CCC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305048152 1068107268 /nfs/dbraw/zinc/10/72/68/1068107268.db2.gz OHGIMOGUDWSJAY-NJYVYQBISA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccn3C)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305052141 1068116266 /nfs/dbraw/zinc/11/62/66/1068116266.db2.gz YVOKNRKLCRQYGO-RJGXRXQPSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccn3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305052141 1068116271 /nfs/dbraw/zinc/11/62/71/1068116271.db2.gz YVOKNRKLCRQYGO-RJGXRXQPSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305052141 1068116275 /nfs/dbraw/zinc/11/62/75/1068116275.db2.gz YVOKNRKLCRQYGO-RJGXRXQPSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305052141 1068116282 /nfs/dbraw/zinc/11/62/82/1068116282.db2.gz YVOKNRKLCRQYGO-RJGXRXQPSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1CCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305058376 1068121105 /nfs/dbraw/zinc/12/11/05/1068121105.db2.gz HCNXNHODBPNVAR-OAQYLSRUSA-N 2 1 472.653 3.287 20 0 JGADMP C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305058376 1068121111 /nfs/dbraw/zinc/12/11/11/1068121111.db2.gz HCNXNHODBPNVAR-OAQYLSRUSA-N 2 1 472.653 3.287 20 0 JGADMP C[C@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001305061014 1068126417 /nfs/dbraw/zinc/12/64/17/1068126417.db2.gz XLMRGPGZOFAHHV-GMAHTHKFSA-N 2 1 454.663 3.207 20 0 JGADMP 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 1068189201 /nfs/dbraw/zinc/18/92/01/1068189201.db2.gz SKCQDSAPRDQWEX-BHIFYINESA-N 2 1 476.710 3.371 20 0 JGADMP 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 ZINC001305113262 1068189211 /nfs/dbraw/zinc/18/92/11/1068189211.db2.gz SKCQDSAPRDQWEX-BHIFYINESA-N 2 1 476.710 3.371 20 0 JGADMP 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 ZINC001305113262 1068189217 /nfs/dbraw/zinc/18/92/17/1068189217.db2.gz SKCQDSAPRDQWEX-BHIFYINESA-N 2 1 476.710 3.371 20 0 JGADMP C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303663718 1068195634 /nfs/dbraw/zinc/19/56/34/1068195634.db2.gz OQFBCWJWIBNLKQ-QFIPXVFZSA-N 2 1 481.689 3.345 20 0 JGADMP 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 1068300264 /nfs/dbraw/zinc/30/02/64/1068300264.db2.gz RBPTWDQZKAIWGV-SLFFLAALSA-N 2 1 477.698 3.310 20 0 JGADMP CC(C)N1CC[NH+](C2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@@H](C)[NH+](C)C)CC2)CC1 ZINC001303743243 1068302182 /nfs/dbraw/zinc/30/21/82/1068302182.db2.gz MSXMQUSQPVWMAX-GMKZXUHWSA-N 2 1 489.753 3.142 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752814 1068314105 /nfs/dbraw/zinc/31/41/05/1068314105.db2.gz UDBJGQJIRLQULW-GJZUVCINSA-N 2 1 476.710 3.361 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C[NH+]1CCCCC1 ZINC001303753714 1068316270 /nfs/dbraw/zinc/31/62/70/1068316270.db2.gz OQVAOMPEBBKFEN-HSZRJFAPSA-N 2 1 487.737 3.123 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C[NH+]1CCCCC1 ZINC001303753714 1068316284 /nfs/dbraw/zinc/31/62/84/1068316284.db2.gz OQVAOMPEBBKFEN-HSZRJFAPSA-N 2 1 487.737 3.123 20 0 JGADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219155 1068356136 /nfs/dbraw/zinc/35/61/36/1068356136.db2.gz AYZLUMCNALMCQG-FUHWJXTLSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303902135 1068545583 /nfs/dbraw/zinc/54/55/83/1068545583.db2.gz LZNLGFILOLIKGX-OFNKIYASSA-N 2 1 474.625 3.198 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303902135 1068545591 /nfs/dbraw/zinc/54/55/91/1068545591.db2.gz LZNLGFILOLIKGX-OFNKIYASSA-N 2 1 474.625 3.198 20 0 JGADMP 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 1068644332 /nfs/dbraw/zinc/64/43/32/1068644332.db2.gz MCNUIXKEJCIHCW-CUDBPUKSSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305403582 1068644339 /nfs/dbraw/zinc/64/43/39/1068644339.db2.gz MCNUIXKEJCIHCW-CUDBPUKSSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305403582 1068644346 /nfs/dbraw/zinc/64/43/46/1068644346.db2.gz MCNUIXKEJCIHCW-CUDBPUKSSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512605 1068755350 /nfs/dbraw/zinc/75/53/50/1068755350.db2.gz GFBBMWIWSIOXEN-WMTXJRDZSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001305512605 1068755360 /nfs/dbraw/zinc/75/53/60/1068755360.db2.gz GFBBMWIWSIOXEN-WMTXJRDZSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001305512605 1068755369 /nfs/dbraw/zinc/75/53/69/1068755369.db2.gz GFBBMWIWSIOXEN-WMTXJRDZSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001305602569 1068865972 /nfs/dbraw/zinc/86/59/72/1068865972.db2.gz COAFWTQDIYAKSE-QFIPXVFZSA-N 2 1 490.656 3.368 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001305602569 1068865987 /nfs/dbraw/zinc/86/59/87/1068865987.db2.gz COAFWTQDIYAKSE-QFIPXVFZSA-N 2 1 490.656 3.368 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001305602569 1068866004 /nfs/dbraw/zinc/86/60/04/1068866004.db2.gz COAFWTQDIYAKSE-QFIPXVFZSA-N 2 1 490.656 3.368 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305603251 1068867110 /nfs/dbraw/zinc/86/71/10/1068867110.db2.gz AHAAPWBDVHOKFI-ICSRJNTNSA-N 2 1 462.042 3.025 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609215 1068881307 /nfs/dbraw/zinc/88/13/07/1068881307.db2.gz SAEYSRSRYHONGA-UPVQGACJSA-N 2 1 483.705 3.289 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001305609451 1068881691 /nfs/dbraw/zinc/88/16/91/1068881691.db2.gz DHMSLXKVSQMDOK-NHCUHLMSSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001305609451 1068881702 /nfs/dbraw/zinc/88/17/02/1068881702.db2.gz DHMSLXKVSQMDOK-NHCUHLMSSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305609451 1068881714 /nfs/dbraw/zinc/88/17/14/1068881714.db2.gz DHMSLXKVSQMDOK-NHCUHLMSSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305611834 1068886884 /nfs/dbraw/zinc/88/68/84/1068886884.db2.gz NPSGHEATQVKFOF-FQEVSTJZSA-N 2 1 494.688 3.357 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305611834 1068886895 /nfs/dbraw/zinc/88/68/95/1068886895.db2.gz NPSGHEATQVKFOF-FQEVSTJZSA-N 2 1 494.688 3.357 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001305615484 1068893549 /nfs/dbraw/zinc/89/35/49/1068893549.db2.gz WPSMZJZZRXOZJS-FDFHNCONSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305615484 1068893563 /nfs/dbraw/zinc/89/35/63/1068893563.db2.gz WPSMZJZZRXOZJS-FDFHNCONSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305615484 1068893575 /nfs/dbraw/zinc/89/35/75/1068893575.db2.gz WPSMZJZZRXOZJS-FDFHNCONSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305616077 1068894916 /nfs/dbraw/zinc/89/49/16/1068894916.db2.gz YRWMVNMZLYDHQK-SFTDATJTSA-N 2 1 455.651 3.068 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305616077 1068894927 /nfs/dbraw/zinc/89/49/27/1068894927.db2.gz YRWMVNMZLYDHQK-SFTDATJTSA-N 2 1 455.651 3.068 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305616077 1068894934 /nfs/dbraw/zinc/89/49/34/1068894934.db2.gz YRWMVNMZLYDHQK-SFTDATJTSA-N 2 1 455.651 3.068 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616207 1068895633 /nfs/dbraw/zinc/89/56/33/1068895633.db2.gz UJLQRDKNNBOAEV-CJRSTVEYSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616207 1068895641 /nfs/dbraw/zinc/89/56/41/1068895641.db2.gz UJLQRDKNNBOAEV-CJRSTVEYSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616207 1068895648 /nfs/dbraw/zinc/89/56/48/1068895648.db2.gz UJLQRDKNNBOAEV-CJRSTVEYSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305616384 1068895684 /nfs/dbraw/zinc/89/56/84/1068895684.db2.gz AKFFKGIQEAESQV-HXUWFJFHSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001305616383 1068896078 /nfs/dbraw/zinc/89/60/78/1068896078.db2.gz AKFFKGIQEAESQV-FQEVSTJZSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305617441 1068897788 /nfs/dbraw/zinc/89/77/88/1068897788.db2.gz HNOGDVOHMKVCGO-UNMCSNQZSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305617441 1068897802 /nfs/dbraw/zinc/89/78/02/1068897802.db2.gz HNOGDVOHMKVCGO-UNMCSNQZSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658705 1068998170 /nfs/dbraw/zinc/99/81/70/1068998170.db2.gz FXDKRHUWLZDPNE-WMTXJRDZSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658705 1068998184 /nfs/dbraw/zinc/99/81/84/1068998184.db2.gz FXDKRHUWLZDPNE-WMTXJRDZSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658702 1068998359 /nfs/dbraw/zinc/99/83/59/1068998359.db2.gz FXDKRHUWLZDPNE-CQOQZXRMSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658702 1068998371 /nfs/dbraw/zinc/99/83/71/1068998371.db2.gz FXDKRHUWLZDPNE-CQOQZXRMSA-N 2 1 454.663 3.461 20 0 JGADMP CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001305704344 1069090544 /nfs/dbraw/zinc/09/05/44/1069090544.db2.gz FAJSHLUJPFPKPU-REWPJTCUSA-N 2 1 473.710 3.191 20 0 JGADMP CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305713329 1069115349 /nfs/dbraw/zinc/11/53/49/1069115349.db2.gz GRYPYJUCTDMNSU-ISKFKSNPSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305713329 1069115353 /nfs/dbraw/zinc/11/53/53/1069115353.db2.gz GRYPYJUCTDMNSU-ISKFKSNPSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC001305715627 1069121125 /nfs/dbraw/zinc/12/11/25/1069121125.db2.gz NGGKDAQJIZIHKH-AKIFATBCSA-N 2 1 462.683 3.187 20 0 JGADMP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001305718007 1069125467 /nfs/dbraw/zinc/12/54/67/1069125467.db2.gz XKTHBAIDZHQOPS-GOTSBHOMSA-N 2 1 456.683 3.181 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]32)n1C[C@@H](C)[NH+](C)C ZINC001305765081 1069235385 /nfs/dbraw/zinc/23/53/85/1069235385.db2.gz SBPVXGNVHDMKKX-QVNIBDNGSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)n1C[C@@H](C)[NH+](C)C ZINC001305765081 1069235398 /nfs/dbraw/zinc/23/53/98/1069235398.db2.gz SBPVXGNVHDMKKX-QVNIBDNGSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305769528 1069244557 /nfs/dbraw/zinc/24/45/57/1069244557.db2.gz HDTWQYDOBBCNGB-FCHUYYIVSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001305776071 1069258806 /nfs/dbraw/zinc/25/88/06/1069258806.db2.gz IYSXHUGRRAPMSO-UHFFFAOYSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787454 1069294388 /nfs/dbraw/zinc/29/43/88/1069294388.db2.gz AFXCTEKMLMCAJT-GOTSBHOMSA-N 2 1 485.652 3.313 20 0 JGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164425870 718916017 /nfs/dbraw/zinc/91/60/17/718916017.db2.gz WCTNXQZADSZBDJ-NIYFSFCBSA-N 2 1 485.698 3.387 20 0 JGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001164425321 718918354 /nfs/dbraw/zinc/91/83/54/718918354.db2.gz RQONJFUGBLMOIA-DEOSSOPVSA-N 2 1 453.612 3.005 20 0 JGADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618298 719017529 /nfs/dbraw/zinc/01/75/29/719017529.db2.gz SAHSDGSBCOXKLK-YTQUADARSA-N 2 1 469.655 3.142 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164614699 719017668 /nfs/dbraw/zinc/01/76/68/719017668.db2.gz GEPCALUDYNWOOF-NBMJBFSESA-N 2 1 469.655 3.142 20 0 JGADMP C[N@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164669269 719426812 /nfs/dbraw/zinc/42/68/12/719426812.db2.gz LMXLIZNSZWEVNY-FCHUYYIVSA-N 2 1 455.002 3.276 20 0 JGADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680982 719655641 /nfs/dbraw/zinc/65/56/41/719655641.db2.gz KOYRSOHFJXXCHU-FQEVSTJZSA-N 2 1 450.631 3.026 20 0 JGADMP c1ncc(O[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)cn1 ZINC001164741851 720764738 /nfs/dbraw/zinc/76/47/38/720764738.db2.gz NDETZTPBLYZWCB-RBUKOAKNSA-N 2 1 491.665 3.298 20 0 JGADMP c1ncc(O[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741851 720764749 /nfs/dbraw/zinc/76/47/49/720764749.db2.gz NDETZTPBLYZWCB-RBUKOAKNSA-N 2 1 491.665 3.298 20 0 JGADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747231 720867323 /nfs/dbraw/zinc/86/73/23/720867323.db2.gz ATIPPAMBYQUZHV-OZXSUGGESA-N 2 1 450.631 3.391 20 0 JGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749668 720899166 /nfs/dbraw/zinc/89/91/66/720899166.db2.gz ANVTXNYURRQCBT-SHQCIBLASA-N 2 1 463.626 3.068 20 0 JGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749656 720899355 /nfs/dbraw/zinc/89/93/55/720899355.db2.gz ANVTXNYURRQCBT-RPLLCQBOSA-N 2 1 463.626 3.068 20 0 JGADMP Cc1ccc(C[NH+]2CCC3(CCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)CC3)CC2)cc1 ZINC001164759215 721045488 /nfs/dbraw/zinc/04/54/88/721045488.db2.gz LMLJCUVFVGVNHR-UHFFFAOYSA-N 2 1 462.642 3.107 20 0 JGADMP 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 721247725 /nfs/dbraw/zinc/24/77/25/721247725.db2.gz RPUNKQYSTRRVQJ-MOPGFXCFSA-N 2 1 462.976 3.348 20 0 JGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164780666 721361897 /nfs/dbraw/zinc/36/18/97/721361897.db2.gz GHPPQYPMJXTTLO-SANMLTNESA-N 2 1 469.630 3.280 20 0 JGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C2)C1 ZINC001164784573 721375647 /nfs/dbraw/zinc/37/56/47/721375647.db2.gz QIEUAVZJOYTKAI-AREMUKBSSA-N 2 1 469.630 3.184 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960597 722025290 /nfs/dbraw/zinc/02/52/90/722025290.db2.gz LEFSJWAGWASMPG-WXVAWEFUSA-N 2 1 471.609 3.183 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960597 722025293 /nfs/dbraw/zinc/02/52/93/722025293.db2.gz LEFSJWAGWASMPG-WXVAWEFUSA-N 2 1 471.609 3.183 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc[nH]2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298235749 1064141374 /nfs/dbraw/zinc/14/13/74/1064141374.db2.gz JXNAVTLTVJWPNZ-UHFFFAOYSA-N 2 1 457.667 3.190 20 0 JGADMP C[N@H+](CCCn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679000 1064469338 /nfs/dbraw/zinc/46/93/38/1064469338.db2.gz IRVTYFZJQOQJND-AREMUKBSSA-N 2 1 454.663 3.399 20 0 JGADMP C[N@@H+](CCCn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679000 1064469343 /nfs/dbraw/zinc/46/93/43/1064469343.db2.gz IRVTYFZJQOQJND-AREMUKBSSA-N 2 1 454.663 3.399 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CC[NH+](C)Cc1ccc(F)cc1 ZINC001298706063 1064511767 /nfs/dbraw/zinc/51/17/67/1064511767.db2.gz PFNPDDMBNNHSSM-UHFFFAOYSA-N 2 1 458.626 3.364 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CC[NH+](C)Cc1ccc(F)cc1 ZINC001298706063 1064511778 /nfs/dbraw/zinc/51/17/78/1064511778.db2.gz PFNPDDMBNNHSSM-UHFFFAOYSA-N 2 1 458.626 3.364 20 0 JGADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001298706063 1064511787 /nfs/dbraw/zinc/51/17/87/1064511787.db2.gz PFNPDDMBNNHSSM-UHFFFAOYSA-N 2 1 458.626 3.364 20 0 JGADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C2CCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298706063 1064511798 /nfs/dbraw/zinc/51/17/98/1064511798.db2.gz PFNPDDMBNNHSSM-UHFFFAOYSA-N 2 1 458.626 3.364 20 0 JGADMP C[N@H+]1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298879940 1064685918 /nfs/dbraw/zinc/68/59/18/1064685918.db2.gz SMSNZDIEUWFZPG-DEOSSOPVSA-N 2 1 479.044 3.362 20 0 JGADMP C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298884348 1064690326 /nfs/dbraw/zinc/69/03/26/1064690326.db2.gz AQTFNJJVDNJEST-OAQYLSRUSA-N 2 1 454.667 3.414 20 0 JGADMP C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298885134 1064691012 /nfs/dbraw/zinc/69/10/12/1064691012.db2.gz GYYPHZHXOHTDFU-NRFANRHFSA-N 2 1 473.710 3.193 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492265808 1065358806 /nfs/dbraw/zinc/35/88/06/1065358806.db2.gz KEGXBTVZNIPNLX-OAQYLSRUSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001492265808 1065358813 /nfs/dbraw/zinc/35/88/13/1065358813.db2.gz KEGXBTVZNIPNLX-OAQYLSRUSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492265852 1065358996 /nfs/dbraw/zinc/35/89/96/1065358996.db2.gz FREXPOGHPZZFJP-UHFFFAOYSA-N 2 1 467.662 3.410 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492391138 1065434491 /nfs/dbraw/zinc/43/44/91/1065434491.db2.gz NIQTYQOLXIKPTE-VXNXHJTFSA-N 2 1 483.705 3.110 20 0 JGADMP 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 1066335575 /nfs/dbraw/zinc/33/55/75/1066335575.db2.gz TZDOHPZXPALOJT-PJIZGREPSA-N 2 1 474.625 3.117 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302026037 1066385654 /nfs/dbraw/zinc/38/56/54/1066385654.db2.gz VWQHQKPFPQTIQY-VXKWHMMOSA-N 2 1 462.683 3.189 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302067726 1066470796 /nfs/dbraw/zinc/47/07/96/1066470796.db2.gz JPSLAQBEJRQCLX-OAQYLSRUSA-N 2 1 450.672 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001302068821 1066472610 /nfs/dbraw/zinc/47/26/10/1066472610.db2.gz PYIBJWOEXVOIBR-RQTOMXEWSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302092746 1066520480 /nfs/dbraw/zinc/52/04/80/1066520480.db2.gz JRZULZQUGQIGDG-FCHUYYIVSA-N 2 1 462.683 3.187 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301727657 1066645785 /nfs/dbraw/zinc/64/57/85/1066645785.db2.gz IPTBSPYSVJRXKX-UHFFFAOYSA-N 2 1 470.662 3.233 20 0 JGADMP CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001302177454 1066653129 /nfs/dbraw/zinc/65/31/29/1066653129.db2.gz WXKVGLNWVKRMCY-IBGZPJMESA-N 2 1 497.610 3.417 20 0 JGADMP CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302202940 1066698585 /nfs/dbraw/zinc/69/85/85/1066698585.db2.gz LNLINDKDBZEZEV-XMMPIXPASA-N 2 1 468.690 3.221 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001301874376 1066874907 /nfs/dbraw/zinc/87/49/07/1066874907.db2.gz HULPRYDOIHLMCL-ZJSXRUAMSA-N 2 1 470.662 3.404 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001301877665 1066879808 /nfs/dbraw/zinc/87/98/08/1066879808.db2.gz PRKMWRMZLDHUFS-FQEVSTJZSA-N 2 1 477.053 3.326 20 0 JGADMP 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 1066894265 /nfs/dbraw/zinc/89/42/65/1066894265.db2.gz OPXRIXIDIAEZLZ-FKBYEOEOSA-N 2 1 462.683 3.043 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301886451 1066898041 /nfs/dbraw/zinc/89/80/41/1066898041.db2.gz XJVCDADLDQQXTK-SZPZYZBQSA-N 2 1 484.689 3.479 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301886451 1066898045 /nfs/dbraw/zinc/89/80/45/1066898045.db2.gz XJVCDADLDQQXTK-SZPZYZBQSA-N 2 1 484.689 3.479 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001301887089 1066899779 /nfs/dbraw/zinc/89/97/79/1066899779.db2.gz FRMNFGUEYUHNKC-SANMLTNESA-N 2 1 486.730 3.448 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001302309000 1066901150 /nfs/dbraw/zinc/90/11/50/1066901150.db2.gz QMRHAQFNBQNCTM-VABKMULXSA-N 2 1 462.683 3.187 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904926 /nfs/dbraw/zinc/90/49/26/1066904926.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904928 /nfs/dbraw/zinc/90/49/28/1066904928.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904933 /nfs/dbraw/zinc/90/49/33/1066904933.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001301891588 1066912060 /nfs/dbraw/zinc/91/20/60/1066912060.db2.gz RCENAPZOVMXSFE-NRFANRHFSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001301891588 1066912069 /nfs/dbraw/zinc/91/20/69/1066912069.db2.gz RCENAPZOVMXSFE-NRFANRHFSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001301891588 1066912079 /nfs/dbraw/zinc/91/20/79/1066912079.db2.gz RCENAPZOVMXSFE-NRFANRHFSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301891893 1066912765 /nfs/dbraw/zinc/91/27/65/1066912765.db2.gz RQKQHWNJSXEJER-YADHBBJMSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001301892970 1066913932 /nfs/dbraw/zinc/91/39/32/1066913932.db2.gz XZOTWXIHWZKCQA-DHIUTWEWSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001301892970 1066913943 /nfs/dbraw/zinc/91/39/43/1066913943.db2.gz XZOTWXIHWZKCQA-DHIUTWEWSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001301892970 1066913958 /nfs/dbraw/zinc/91/39/58/1066913958.db2.gz XZOTWXIHWZKCQA-DHIUTWEWSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001301893057 1066914172 /nfs/dbraw/zinc/91/41/72/1066914172.db2.gz ZVTCPYMBDBOWMK-PZJWPPBQSA-N 2 1 454.644 3.466 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001301911971 1066938257 /nfs/dbraw/zinc/93/82/57/1066938257.db2.gz JABYNOZOBJLWHK-PTUXOGIPSA-N 2 1 474.625 3.119 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301915033 1066944941 /nfs/dbraw/zinc/94/49/41/1066944941.db2.gz RSXGDCMVPRCAHF-ZRBLBEILSA-N 2 1 462.683 3.046 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301915033 1066944947 /nfs/dbraw/zinc/94/49/47/1066944947.db2.gz RSXGDCMVPRCAHF-ZRBLBEILSA-N 2 1 462.683 3.046 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301919218 1066950817 /nfs/dbraw/zinc/95/08/17/1066950817.db2.gz GOYLYMWQNJXKEV-QFIPXVFZSA-N 2 1 472.653 3.144 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301919218 1066950827 /nfs/dbraw/zinc/95/08/27/1066950827.db2.gz GOYLYMWQNJXKEV-QFIPXVFZSA-N 2 1 472.653 3.144 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001301919285 1066951179 /nfs/dbraw/zinc/95/11/79/1066951179.db2.gz HZLOAMGFCHZDSO-UHFFFAOYSA-N 2 1 461.054 3.167 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928909 1066966294 /nfs/dbraw/zinc/96/62/94/1066966294.db2.gz YDJKPHBRWWMKRX-LADGPHEKSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928909 1066966302 /nfs/dbraw/zinc/96/63/02/1066966302.db2.gz YDJKPHBRWWMKRX-LADGPHEKSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301928909 1066966310 /nfs/dbraw/zinc/96/63/10/1066966310.db2.gz YDJKPHBRWWMKRX-LADGPHEKSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001301931589 1066969654 /nfs/dbraw/zinc/96/96/54/1066969654.db2.gz FXUCNYABXAQNSA-UHFFFAOYSA-N 2 1 474.625 3.029 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001301933541 1066973333 /nfs/dbraw/zinc/97/33/33/1066973333.db2.gz PGLGXILLRKVLAW-DNQXCXABSA-N 2 1 484.689 3.097 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001301933541 1066973341 /nfs/dbraw/zinc/97/33/41/1066973341.db2.gz PGLGXILLRKVLAW-DNQXCXABSA-N 2 1 484.689 3.097 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001301934163 1066974306 /nfs/dbraw/zinc/97/43/06/1066974306.db2.gz VDABWAWYXSSHJU-UHFFFAOYSA-N 2 1 472.703 3.379 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019790 1067064016 /nfs/dbraw/zinc/06/40/16/1067064016.db2.gz KSTIRBGYEOUZIY-MDNUFGMLSA-N 2 1 470.662 3.286 20 0 JGADMP Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030155 1067078565 /nfs/dbraw/zinc/07/85/65/1067078565.db2.gz NLFXJBRDTSSMTA-GOTSBHOMSA-N 2 1 470.662 3.288 20 0 JGADMP CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523376 1067144164 /nfs/dbraw/zinc/14/41/64/1067144164.db2.gz JENADBRDTQCUTM-BJKOFHAPSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523376 1067144171 /nfs/dbraw/zinc/14/41/71/1067144171.db2.gz JENADBRDTQCUTM-BJKOFHAPSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302526947 1067152406 /nfs/dbraw/zinc/15/24/06/1067152406.db2.gz WSPNIUXFGDWNIJ-DHIUTWEWSA-N 2 1 476.710 3.087 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304175597 1067224603 /nfs/dbraw/zinc/22/46/03/1067224603.db2.gz VZFJCTMSAAFGHP-VWLOTQADSA-N 2 1 497.732 3.419 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001302674711 1067300286 /nfs/dbraw/zinc/30/02/86/1067300286.db2.gz UTSVUQYVJYJPAM-HSZRJFAPSA-N 2 1 454.663 3.327 20 0 JGADMP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001302675583 1067301004 /nfs/dbraw/zinc/30/10/04/1067301004.db2.gz YROGVQAYAQGTRV-QFIPXVFZSA-N 2 1 488.080 3.102 20 0 JGADMP Cc1ccc([C@H](Cn2c(N3CC[C@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304278085 1067317165 /nfs/dbraw/zinc/31/71/65/1067317165.db2.gz JVQOUWHCCJZPOU-GGAORHGYSA-N 2 1 454.663 3.345 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691789 1067317208 /nfs/dbraw/zinc/31/72/08/1067317208.db2.gz FUDQYPOELDOPOR-ISKFKSNPSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691789 1067317220 /nfs/dbraw/zinc/31/72/20/1067317220.db2.gz FUDQYPOELDOPOR-ISKFKSNPSA-N 2 1 481.689 3.055 20 0 JGADMP CC(C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001302691789 1067317234 /nfs/dbraw/zinc/31/72/34/1067317234.db2.gz FUDQYPOELDOPOR-ISKFKSNPSA-N 2 1 481.689 3.055 20 0 JGADMP Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001304279404 1067319571 /nfs/dbraw/zinc/31/95/71/1067319571.db2.gz VVRXMBIWROHAAB-RUZDIDTESA-N 2 1 491.684 3.422 20 0 JGADMP Cc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001304279404 1067319579 /nfs/dbraw/zinc/31/95/79/1067319579.db2.gz VVRXMBIWROHAAB-RUZDIDTESA-N 2 1 491.684 3.422 20 0 JGADMP Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001304279405 1067319859 /nfs/dbraw/zinc/31/98/59/1067319859.db2.gz VVRXMBIWROHAAB-VWLOTQADSA-N 2 1 491.684 3.422 20 0 JGADMP Cc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC001304279405 1067319873 /nfs/dbraw/zinc/31/98/73/1067319873.db2.gz VVRXMBIWROHAAB-VWLOTQADSA-N 2 1 491.684 3.422 20 0 JGADMP Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304279297 1067319917 /nfs/dbraw/zinc/31/99/17/1067319917.db2.gz UDMYQIAFWVAKQH-LADGPHEKSA-N 2 1 454.663 3.246 20 0 JGADMP CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001302822876 1067411931 /nfs/dbraw/zinc/41/19/31/1067411931.db2.gz PFXHHMDOROJMLR-KIFXHHALSA-N 2 1 488.652 3.129 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001304380011 1067426841 /nfs/dbraw/zinc/42/68/41/1067426841.db2.gz OGSIMOYLJCWTGG-UHFFFAOYSA-N 2 1 465.646 3.376 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001304383205 1067432455 /nfs/dbraw/zinc/43/24/55/1067432455.db2.gz IYEPSWOQYPYUHX-HSZRJFAPSA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[NH+]2CCCCC2)cc1C ZINC001304384027 1067433912 /nfs/dbraw/zinc/43/39/12/1067433912.db2.gz NVQCDEXNESWXQJ-UHFFFAOYSA-N 2 1 497.688 3.180 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302856878 1067440044 /nfs/dbraw/zinc/44/00/44/1067440044.db2.gz DEFSQBZQNHDAOK-JOCHJYFZSA-N 2 1 460.642 3.466 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302856878 1067440047 /nfs/dbraw/zinc/44/00/47/1067440047.db2.gz DEFSQBZQNHDAOK-JOCHJYFZSA-N 2 1 460.642 3.466 20 0 JGADMP Cc1[nH+]ccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304419650 1067494024 /nfs/dbraw/zinc/49/40/24/1067494024.db2.gz ORLOWFCFEILVFF-UHFFFAOYSA-N 2 1 451.619 3.457 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001302936429 1067509896 /nfs/dbraw/zinc/50/98/96/1067509896.db2.gz DPWBVSVQFURQNP-UHFFFAOYSA-N 2 1 456.683 3.044 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001302937469 1067511028 /nfs/dbraw/zinc/51/10/28/1067511028.db2.gz KYIUDXMVSWGRPZ-UHFFFAOYSA-N 2 1 470.710 3.435 20 0 JGADMP CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001302938595 1067512049 /nfs/dbraw/zinc/51/20/49/1067512049.db2.gz JESWKNFHSCEBIP-TZRRMPRUSA-N 2 1 460.711 3.393 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001302965460 1067535963 /nfs/dbraw/zinc/53/59/63/1067535963.db2.gz DPCZGTXOYKYPJR-IBGZPJMESA-N 2 1 483.583 3.027 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001304459145 1067538638 /nfs/dbraw/zinc/53/86/38/1067538638.db2.gz DZWKMLMYEWDHQH-RZUBCFFCSA-N 2 1 467.618 3.090 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](c2ccco2)[NH+](C)C)n1 ZINC001304459145 1067538640 /nfs/dbraw/zinc/53/86/40/1067538640.db2.gz DZWKMLMYEWDHQH-RZUBCFFCSA-N 2 1 467.618 3.090 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001304459146 1067538889 /nfs/dbraw/zinc/53/88/89/1067538889.db2.gz DZWKMLMYEWDHQH-VWPQPMDRSA-N 2 1 467.618 3.090 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](c2ccco2)[NH+](C)C)n1 ZINC001304459146 1067538895 /nfs/dbraw/zinc/53/88/95/1067538895.db2.gz DZWKMLMYEWDHQH-VWPQPMDRSA-N 2 1 467.618 3.090 20 0 JGADMP Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC[N@H+]1CC=CCC1 ZINC001304546959 1067615964 /nfs/dbraw/zinc/61/59/64/1067615964.db2.gz LDGAHHHLTFLRSK-UHFFFAOYSA-N 2 1 466.674 3.234 20 0 JGADMP Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC[N@@H+]1CC=CCC1 ZINC001304546959 1067615967 /nfs/dbraw/zinc/61/59/67/1067615967.db2.gz LDGAHHHLTFLRSK-UHFFFAOYSA-N 2 1 466.674 3.234 20 0 JGADMP CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)C1 ZINC001303172780 1067706472 /nfs/dbraw/zinc/70/64/72/1067706472.db2.gz NBQHAJQKEQPDOB-NRFANRHFSA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)C1 ZINC001303172780 1067706475 /nfs/dbraw/zinc/70/64/75/1067706475.db2.gz NBQHAJQKEQPDOB-NRFANRHFSA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303175080 1067708460 /nfs/dbraw/zinc/70/84/60/1067708460.db2.gz HGNADKBIFWJMNA-QFIPXVFZSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)C[NH+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001303175080 1067708467 /nfs/dbraw/zinc/70/84/67/1067708467.db2.gz HGNADKBIFWJMNA-QFIPXVFZSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)C[NH+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001303175080 1067708474 /nfs/dbraw/zinc/70/84/74/1067708474.db2.gz HGNADKBIFWJMNA-QFIPXVFZSA-N 2 1 473.710 3.193 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)cs1 ZINC001304656041 1067724303 /nfs/dbraw/zinc/72/43/03/1067724303.db2.gz FLJUNFUDKGETOD-PMACEKPBSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)cs1 ZINC001304656041 1067724309 /nfs/dbraw/zinc/72/43/09/1067724309.db2.gz FLJUNFUDKGETOD-PMACEKPBSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001304656041 1067724317 /nfs/dbraw/zinc/72/43/17/1067724317.db2.gz FLJUNFUDKGETOD-PMACEKPBSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304656041 1067724322 /nfs/dbraw/zinc/72/43/22/1067724322.db2.gz FLJUNFUDKGETOD-PMACEKPBSA-N 2 1 489.734 3.301 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303198487 1067733376 /nfs/dbraw/zinc/73/33/76/1067733376.db2.gz CCDIXXWVNUFTDL-QFIPXVFZSA-N 2 1 488.652 3.131 20 0 JGADMP Cc1[nH+]ccn1CCCn1c(CCOc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304706832 1067779000 /nfs/dbraw/zinc/77/90/00/1067779000.db2.gz AVZAATVFKWXICV-UHFFFAOYSA-N 2 1 451.619 3.415 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001303254578 1067779654 /nfs/dbraw/zinc/77/96/54/1067779654.db2.gz BIVWNUBOJPKVTN-QFIPXVFZSA-N 2 1 473.710 3.335 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303256400 1067783355 /nfs/dbraw/zinc/78/33/55/1067783355.db2.gz KDTPNFCGTDLGRO-RUZDIDTESA-N 2 1 495.716 3.444 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303256400 1067783361 /nfs/dbraw/zinc/78/33/61/1067783361.db2.gz KDTPNFCGTDLGRO-RUZDIDTESA-N 2 1 495.716 3.444 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303256400 1067783370 /nfs/dbraw/zinc/78/33/70/1067783370.db2.gz KDTPNFCGTDLGRO-RUZDIDTESA-N 2 1 495.716 3.444 20 0 JGADMP Cc1[nH+]ccn1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CCC(F)(F)F ZINC001304712933 1067784294 /nfs/dbraw/zinc/78/42/94/1067784294.db2.gz CDYKQOAYIZZQKT-UHFFFAOYSA-N 2 1 490.578 3.237 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001303259754 1067786414 /nfs/dbraw/zinc/78/64/14/1067786414.db2.gz YMSUBXCZOOJMRW-IRLDBZIGSA-N 2 1 459.683 3.050 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001303261846 1067788931 /nfs/dbraw/zinc/78/89/31/1067788931.db2.gz YUJWOJSRACBWSY-OAQYLSRUSA-N 2 1 487.718 3.322 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001303267749 1067794817 /nfs/dbraw/zinc/79/48/17/1067794817.db2.gz HOOJFCFZOIEUSZ-VWNXMTODSA-N 2 1 471.669 3.167 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725634 1067797595 /nfs/dbraw/zinc/79/75/95/1067797595.db2.gz NDKUBSZLOQVQDM-FQEVSTJZSA-N 2 1 470.710 3.370 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001304726129 1067798679 /nfs/dbraw/zinc/79/86/79/1067798679.db2.gz VPXDUJOUKNQQDP-GHTZIAJQSA-N 2 1 498.651 3.180 20 0 JGADMP CC(C)[NH+](CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC001303291959 1067816987 /nfs/dbraw/zinc/81/69/87/1067816987.db2.gz PXVQDBGQVOIFFV-JOCHJYFZSA-N 2 1 494.750 3.144 20 0 JGADMP CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC001303296935 1067821030 /nfs/dbraw/zinc/82/10/30/1067821030.db2.gz MYWIDZLKWKLPOZ-HSZRJFAPSA-N 2 1 494.750 3.001 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001303308049 1067836655 /nfs/dbraw/zinc/83/66/55/1067836655.db2.gz PCRWSNBFENPGMR-QFIPXVFZSA-N 2 1 467.445 3.239 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303308049 1067836661 /nfs/dbraw/zinc/83/66/61/1067836661.db2.gz PCRWSNBFENPGMR-QFIPXVFZSA-N 2 1 467.445 3.239 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303308049 1067836670 /nfs/dbraw/zinc/83/66/70/1067836670.db2.gz PCRWSNBFENPGMR-QFIPXVFZSA-N 2 1 467.445 3.239 20 0 JGADMP 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 1067843747 /nfs/dbraw/zinc/84/37/47/1067843747.db2.gz GPFDXQQCEZSHDO-YADHBBJMSA-N 2 1 459.727 3.301 20 0 JGADMP CC(C)N1CC[NH+](C2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCCCCC3)CC2)CC1 ZINC001303316507 1067843872 /nfs/dbraw/zinc/84/38/72/1067843872.db2.gz BIMILYOEAUJRIF-UHFFFAOYSA-N 2 1 459.727 3.446 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303316987 1067844763 /nfs/dbraw/zinc/84/47/63/1067844763.db2.gz MCOCKKVMSPJADF-DNQXCXABSA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001303317677 1067847068 /nfs/dbraw/zinc/84/70/68/1067847068.db2.gz ABBOPEARTBWSMR-QHCPKHFHSA-N 2 1 489.753 3.071 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001304760752 1067847133 /nfs/dbraw/zinc/84/71/33/1067847133.db2.gz SWPWKBLDDKYNKA-UHFFFAOYSA-N 2 1 456.683 3.182 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)n1 ZINC001304761353 1067848422 /nfs/dbraw/zinc/84/84/22/1067848422.db2.gz ZZADIPWQQMKXBR-UHFFFAOYSA-N 2 1 456.683 3.325 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001304762923 1067851041 /nfs/dbraw/zinc/85/10/41/1067851041.db2.gz HGMQDVJXCRKBPX-DEOSSOPVSA-N 2 1 470.710 3.286 20 0 JGADMP 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 1067857491 /nfs/dbraw/zinc/85/74/91/1067857491.db2.gz XPURIVODTWQLQP-ZTCOLXNVSA-N 2 1 481.689 3.246 20 0 JGADMP Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001304858900 1067908781 /nfs/dbraw/zinc/90/87/81/1067908781.db2.gz BQPYMBNTSCXDIS-ZRBLBEILSA-N 2 1 453.679 3.102 20 0 JGADMP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001304858900 1067908782 /nfs/dbraw/zinc/90/87/82/1067908782.db2.gz BQPYMBNTSCXDIS-ZRBLBEILSA-N 2 1 453.679 3.102 20 0 JGADMP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304858900 1067908786 /nfs/dbraw/zinc/90/87/86/1067908786.db2.gz BQPYMBNTSCXDIS-ZRBLBEILSA-N 2 1 453.679 3.102 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381753 1067910746 /nfs/dbraw/zinc/91/07/46/1067910746.db2.gz LKQBIIKGQNYFJT-URXFXBBRSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381753 1067910750 /nfs/dbraw/zinc/91/07/50/1067910750.db2.gz LKQBIIKGQNYFJT-URXFXBBRSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001303408370 1067935415 /nfs/dbraw/zinc/93/54/15/1067935415.db2.gz VBTLXCKCZYILFK-NRFANRHFSA-N 2 1 467.662 3.001 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304925191 1067968087 /nfs/dbraw/zinc/96/80/87/1067968087.db2.gz LGOLRTJTQMINEK-SMIHKQSGSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304925191 1067968091 /nfs/dbraw/zinc/96/80/91/1067968091.db2.gz LGOLRTJTQMINEK-SMIHKQSGSA-N 2 1 490.737 3.477 20 0 JGADMP 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 1067971797 /nfs/dbraw/zinc/97/17/97/1067971797.db2.gz UUDLXFIGCQVWBY-GVAUOCQISA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)c1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926928 1067971802 /nfs/dbraw/zinc/97/18/02/1067971802.db2.gz UUDLXFIGCQVWBY-GVAUOCQISA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)c1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926928 1067971806 /nfs/dbraw/zinc/97/18/06/1067971806.db2.gz UUDLXFIGCQVWBY-GVAUOCQISA-N 2 1 489.753 3.001 20 0 JGADMP 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 1067971885 /nfs/dbraw/zinc/97/18/85/1067971885.db2.gz UUDLXFIGCQVWBY-SDHSZQHLSA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303462380 1067981378 /nfs/dbraw/zinc/98/13/78/1067981378.db2.gz AVYLDTMEOYZMTH-NRFANRHFSA-N 2 1 459.683 3.136 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001303463517 1067982601 /nfs/dbraw/zinc/98/26/01/1067982601.db2.gz ULNODFDVBKJNHM-FQEVSTJZSA-N 2 1 468.650 3.157 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001303501932 1068030967 /nfs/dbraw/zinc/03/09/67/1068030967.db2.gz QJAWSHZFBCQJAB-VWLOTQADSA-N 2 1 462.683 3.115 20 0 JGADMP C[C@H]1CCC[C@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989275 1068031562 /nfs/dbraw/zinc/03/15/62/1068031562.db2.gz RKSRBAGUKMCWAB-CUNXSJBXSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@H]1CCC[C@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989275 1068031572 /nfs/dbraw/zinc/03/15/72/1068031572.db2.gz RKSRBAGUKMCWAB-CUNXSJBXSA-N 2 1 483.705 3.321 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025970 1068081641 /nfs/dbraw/zinc/08/16/41/1068081641.db2.gz VFKYGFWFVAPHRA-AKFKNWHVSA-N 2 1 454.663 3.378 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305028408 1068085369 /nfs/dbraw/zinc/08/53/69/1068085369.db2.gz FZIXOEGPCCONOH-PMACEKPBSA-N 2 1 487.718 3.357 20 0 JGADMP CC1CC[NH+](CCn2c(COc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001305111217 1068182411 /nfs/dbraw/zinc/18/24/11/1068182411.db2.gz ZIPJNFQCIOFILN-UHFFFAOYSA-N 2 1 488.652 3.275 20 0 JGADMP CC1CC[NH+](CCn2c(COc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001305111217 1068182420 /nfs/dbraw/zinc/18/24/20/1068182420.db2.gz ZIPJNFQCIOFILN-UHFFFAOYSA-N 2 1 488.652 3.275 20 0 JGADMP C[C@@H](CCn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667328 1068201882 /nfs/dbraw/zinc/20/18/82/1068201882.db2.gz QRXGQMSTEOQECV-ZEQRLZLVSA-N 2 1 498.716 3.402 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303697218 1068240939 /nfs/dbraw/zinc/24/09/39/1068240939.db2.gz WVZFKJWVJAOKBL-OAHLLOKOSA-N 2 1 485.496 3.266 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303697218 1068240945 /nfs/dbraw/zinc/24/09/45/1068240945.db2.gz WVZFKJWVJAOKBL-OAHLLOKOSA-N 2 1 485.496 3.266 20 0 JGADMP C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303706568 1068251072 /nfs/dbraw/zinc/25/10/72/1068251072.db2.gz BCURIEYPSFMJEX-IBGZPJMESA-N 2 1 467.618 3.097 20 0 JGADMP C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303706568 1068251085 /nfs/dbraw/zinc/25/10/85/1068251085.db2.gz BCURIEYPSFMJEX-IBGZPJMESA-N 2 1 467.618 3.097 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001305153192 1068260965 /nfs/dbraw/zinc/26/09/65/1068260965.db2.gz XZCJBWBZCBRXBW-KNQAVFIVSA-N 2 1 461.054 3.486 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001305153192 1068260977 /nfs/dbraw/zinc/26/09/77/1068260977.db2.gz XZCJBWBZCBRXBW-KNQAVFIVSA-N 2 1 461.054 3.486 20 0 JGADMP 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 1068300430 /nfs/dbraw/zinc/30/04/30/1068300430.db2.gz RBPTWDQZKAIWGV-AQNXPRMDSA-N 2 1 477.698 3.310 20 0 JGADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001303755171 1068318637 /nfs/dbraw/zinc/31/86/37/1068318637.db2.gz FHSURUISTIBXHQ-QFIPXVFZSA-N 2 1 458.647 3.489 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303756226 1068319641 /nfs/dbraw/zinc/31/96/41/1068319641.db2.gz RJGKEIZQWNTISX-IBGZPJMESA-N 2 1 476.069 3.272 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001305221269 1068359272 /nfs/dbraw/zinc/35/92/72/1068359272.db2.gz IPZYYBDYNTUYJJ-XMMPIXPASA-N 2 1 468.690 3.485 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001305221269 1068359284 /nfs/dbraw/zinc/35/92/84/1068359284.db2.gz IPZYYBDYNTUYJJ-XMMPIXPASA-N 2 1 468.690 3.485 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001305221269 1068359288 /nfs/dbraw/zinc/35/92/88/1068359288.db2.gz IPZYYBDYNTUYJJ-XMMPIXPASA-N 2 1 468.690 3.485 20 0 JGADMP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903503 1068547440 /nfs/dbraw/zinc/54/74/40/1068547440.db2.gz RQHBAOVSEORKOP-NFBKMPQASA-N 2 1 488.652 3.446 20 0 JGADMP C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932539 1068591635 /nfs/dbraw/zinc/59/16/35/1068591635.db2.gz VTNSEZIYIOJSQH-HSALFYBXSA-N 2 1 474.625 3.197 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305397830 1068640197 /nfs/dbraw/zinc/64/01/97/1068640197.db2.gz IZBYMBZVFFBWQO-NRFANRHFSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305397830 1068640203 /nfs/dbraw/zinc/64/02/03/1068640203.db2.gz IZBYMBZVFFBWQO-NRFANRHFSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305400186 1068642779 /nfs/dbraw/zinc/64/27/79/1068642779.db2.gz WLVDPJSSUWSPKZ-AQNXPRMDSA-N 2 1 452.713 3.164 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305400186 1068642782 /nfs/dbraw/zinc/64/27/82/1068642782.db2.gz WLVDPJSSUWSPKZ-AQNXPRMDSA-N 2 1 452.713 3.164 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305461010 1068704514 /nfs/dbraw/zinc/70/45/14/1068704514.db2.gz ZBYNIIMIQOOWQP-QHCPKHFHSA-N 2 1 489.753 3.022 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305504007 1068739189 /nfs/dbraw/zinc/73/91/89/1068739189.db2.gz GZOIHIRHJWPQLO-LADGPHEKSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305504007 1068739196 /nfs/dbraw/zinc/73/91/96/1068739196.db2.gz GZOIHIRHJWPQLO-LADGPHEKSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305532127 1068788949 /nfs/dbraw/zinc/78/89/49/1068788949.db2.gz ZERQYDHLBFNJCR-NOZRDPDXSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541659 1068812851 /nfs/dbraw/zinc/81/28/51/1068812851.db2.gz YUFXWUXQINNWMJ-DHIUTWEWSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305544313 1068820077 /nfs/dbraw/zinc/82/00/77/1068820077.db2.gz OHTURCIYSVVYHL-JOCHJYFZSA-N 2 1 454.663 3.472 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544831 1068821560 /nfs/dbraw/zinc/82/15/60/1068821560.db2.gz RTGYTMLYKLVWBH-DQEYMECFSA-N 2 1 489.753 3.145 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001305615350 1068892933 /nfs/dbraw/zinc/89/29/33/1068892933.db2.gz PSKPPXUWPIXJAV-FKBYEOEOSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001305615350 1068892942 /nfs/dbraw/zinc/89/29/42/1068892942.db2.gz PSKPPXUWPIXJAV-FKBYEOEOSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305615350 1068892948 /nfs/dbraw/zinc/89/29/48/1068892948.db2.gz PSKPPXUWPIXJAV-FKBYEOEOSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305616752 1068896629 /nfs/dbraw/zinc/89/66/29/1068896629.db2.gz DKFJFHIAXSPOAZ-OAQYLSRUSA-N 2 1 465.621 3.456 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305616752 1068896639 /nfs/dbraw/zinc/89/66/39/1068896639.db2.gz DKFJFHIAXSPOAZ-OAQYLSRUSA-N 2 1 465.621 3.456 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617092 1068898084 /nfs/dbraw/zinc/89/80/84/1068898084.db2.gz JXVRVJUFXNACFI-NZQKXSOJSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617092 1068898091 /nfs/dbraw/zinc/89/80/91/1068898091.db2.gz JXVRVJUFXNACFI-NZQKXSOJSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305617092 1068898101 /nfs/dbraw/zinc/89/81/01/1068898101.db2.gz JXVRVJUFXNACFI-NZQKXSOJSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305617092 1068898108 /nfs/dbraw/zinc/89/81/08/1068898108.db2.gz JXVRVJUFXNACFI-NZQKXSOJSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617093 1068898376 /nfs/dbraw/zinc/89/83/76/1068898376.db2.gz JXVRVJUFXNACFI-OFNKIYASSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617093 1068898387 /nfs/dbraw/zinc/89/83/87/1068898387.db2.gz JXVRVJUFXNACFI-OFNKIYASSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305617093 1068898396 /nfs/dbraw/zinc/89/83/96/1068898396.db2.gz JXVRVJUFXNACFI-OFNKIYASSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305617093 1068898401 /nfs/dbraw/zinc/89/84/01/1068898401.db2.gz JXVRVJUFXNACFI-OFNKIYASSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001305619239 1068902803 /nfs/dbraw/zinc/90/28/03/1068902803.db2.gz FVIPTKPVAFSURT-ACRUOGEOSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305619239 1068902815 /nfs/dbraw/zinc/90/28/15/1068902815.db2.gz FVIPTKPVAFSURT-ACRUOGEOSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305619239 1068902829 /nfs/dbraw/zinc/90/28/29/1068902829.db2.gz FVIPTKPVAFSURT-ACRUOGEOSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678320 1069034470 /nfs/dbraw/zinc/03/44/70/1069034470.db2.gz RURYHNZSSKBSLZ-QPPBQGQZSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678321 1069034900 /nfs/dbraw/zinc/03/49/00/1069034900.db2.gz RURYHNZSSKBSLZ-URXFXBBRSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678322 1069035016 /nfs/dbraw/zinc/03/50/16/1069035016.db2.gz RURYHNZSSKBSLZ-XUZZJYLKSA-N 2 1 454.663 3.197 20 0 JGADMP CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001305704341 1069090512 /nfs/dbraw/zinc/09/05/12/1069090512.db2.gz FAJSHLUJPFPKPU-NFBKMPQASA-N 2 1 473.710 3.191 20 0 JGADMP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001305718005 1069125396 /nfs/dbraw/zinc/12/53/96/1069125396.db2.gz XKTHBAIDZHQOPS-DHIUTWEWSA-N 2 1 456.683 3.181 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305769530 1069245128 /nfs/dbraw/zinc/24/51/28/1069245128.db2.gz HDTWQYDOBBCNGB-VXKWHMMOSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CC[NH+]1CCCC1 ZINC001305782891 1069275405 /nfs/dbraw/zinc/27/54/05/1069275405.db2.gz SLEPOENPNQKKAF-IBGZPJMESA-N 2 1 473.691 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305785873 1069288110 /nfs/dbraw/zinc/28/81/10/1069288110.db2.gz QTXJPDMNBKBGDL-HXUWFJFHSA-N 2 1 473.710 3.382 20 0 JGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164425869 718915945 /nfs/dbraw/zinc/91/59/45/718915945.db2.gz WCTNXQZADSZBDJ-BCHFMIIMSA-N 2 1 485.698 3.387 20 0 JGADMP C(c1nc2sc3c(c2c(N2CCCO[C@]4(C[NH2+]CCOC4)C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164426158 718916150 /nfs/dbraw/zinc/91/61/50/718916150.db2.gz XDEJTUXVVSEROY-RUZDIDTESA-N 2 1 471.671 3.141 20 0 JGADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164425868 718916450 /nfs/dbraw/zinc/91/64/50/718916450.db2.gz WCTNXQZADSZBDJ-AFMDSPMNSA-N 2 1 485.698 3.387 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618294 719017795 /nfs/dbraw/zinc/01/77/95/719017795.db2.gz SAHSDGSBCOXKLK-NZSAHSFTSA-N 2 1 469.655 3.142 20 0 JGADMP 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 719047267 /nfs/dbraw/zinc/04/72/67/719047267.db2.gz QMKRHLJZACAUTG-OYYXRSNLSA-N 2 1 491.680 3.464 20 0 JGADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N4CCC([NH3+])CC4)n3)CC2)c2ccccc21 ZINC001164684119 719675420 /nfs/dbraw/zinc/67/54/20/719675420.db2.gz SFSFAIWUYSURSF-JOCHJYFZSA-N 2 1 490.696 3.103 20 0 JGADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690130 719738616 /nfs/dbraw/zinc/73/86/16/719738616.db2.gz UDWPCRYAONXRNT-UHFFFAOYSA-N 2 1 482.698 3.347 20 0 JGADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690130 719738625 /nfs/dbraw/zinc/73/86/25/719738625.db2.gz UDWPCRYAONXRNT-UHFFFAOYSA-N 2 1 482.698 3.347 20 0 JGADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCC2 ZINC001164817662 720248738 /nfs/dbraw/zinc/24/87/38/720248738.db2.gz SAWGTZQYHGUMIF-UHFFFAOYSA-N 2 1 493.002 3.464 20 0 JGADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739772 720825237 /nfs/dbraw/zinc/82/52/37/720825237.db2.gz IKJZAPIYOVXLOC-NLJOTIRTSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739772 720825239 /nfs/dbraw/zinc/82/52/39/720825239.db2.gz IKJZAPIYOVXLOC-NLJOTIRTSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739772 720825240 /nfs/dbraw/zinc/82/52/40/720825240.db2.gz IKJZAPIYOVXLOC-NLJOTIRTSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739772 720825244 /nfs/dbraw/zinc/82/52/44/720825244.db2.gz IKJZAPIYOVXLOC-NLJOTIRTSA-N 2 1 484.652 3.006 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164859334 720876408 /nfs/dbraw/zinc/87/64/08/720876408.db2.gz MTILSOOOFMICNJ-UXHICEINSA-N 2 1 461.676 3.323 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164859334 720876409 /nfs/dbraw/zinc/87/64/09/720876409.db2.gz MTILSOOOFMICNJ-UXHICEINSA-N 2 1 461.676 3.323 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754014 720879215 /nfs/dbraw/zinc/87/92/15/720879215.db2.gz QTQUJWFIUYWMSX-IDISGSTGSA-N 2 1 490.608 3.285 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754014 720879218 /nfs/dbraw/zinc/87/92/18/720879218.db2.gz QTQUJWFIUYWMSX-IDISGSTGSA-N 2 1 490.608 3.285 20 0 JGADMP CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755697 720898185 /nfs/dbraw/zinc/89/81/85/720898185.db2.gz MQOFTGZHEAIJST-UFHPHHKVSA-N 2 1 492.668 3.026 20 0 JGADMP CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755697 720898187 /nfs/dbraw/zinc/89/81/87/720898187.db2.gz MQOFTGZHEAIJST-UFHPHHKVSA-N 2 1 492.668 3.026 20 0 JGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164780665 721361583 /nfs/dbraw/zinc/36/15/83/721361583.db2.gz GHPPQYPMJXTTLO-AREMUKBSSA-N 2 1 469.630 3.280 20 0 JGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164791249 721473344 /nfs/dbraw/zinc/47/33/44/721473344.db2.gz VZQNFNSSHNMJDN-DEOSSOPVSA-N 2 1 472.674 3.194 20 0 JGADMP c1nc(CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2ncccn2)c2n1CCC[NH2+]C2 ZINC001165016017 721766728 /nfs/dbraw/zinc/76/67/28/721766728.db2.gz VIQKMURJIYSXQA-UHFFFAOYSA-N 2 1 466.593 3.458 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970874 722112207 /nfs/dbraw/zinc/11/22/07/722112207.db2.gz AFMHEMQHVIOLKR-SQHAQQRYSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970874 722112208 /nfs/dbraw/zinc/11/22/08/722112208.db2.gz AFMHEMQHVIOLKR-SQHAQQRYSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970874 722112209 /nfs/dbraw/zinc/11/22/09/722112209.db2.gz AFMHEMQHVIOLKR-SQHAQQRYSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970874 722112210 /nfs/dbraw/zinc/11/22/10/722112210.db2.gz AFMHEMQHVIOLKR-SQHAQQRYSA-N 2 1 470.621 3.157 20 0 JGADMP C[N@@H+](CCCn1c(N2CC[NH+](C[C@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678442 1064467271 /nfs/dbraw/zinc/46/72/71/1064467271.db2.gz BITQPVBEDFFRHK-HSZRJFAPSA-N 2 1 454.663 3.256 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001298728205 1064539237 /nfs/dbraw/zinc/53/92/37/1064539237.db2.gz NOKDZMVFGXCTIP-UHFFFAOYSA-N 2 1 498.716 3.128 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001298728205 1064539253 /nfs/dbraw/zinc/53/92/53/1064539253.db2.gz NOKDZMVFGXCTIP-UHFFFAOYSA-N 2 1 498.716 3.128 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001298730407 1064546069 /nfs/dbraw/zinc/54/60/69/1064546069.db2.gz YYRVRAVGXFCKQK-UHFFFAOYSA-N 2 1 469.678 3.075 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001298730407 1064546085 /nfs/dbraw/zinc/54/60/85/1064546085.db2.gz YYRVRAVGXFCKQK-UHFFFAOYSA-N 2 1 469.678 3.075 20 0 JGADMP C[N@H+]1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001298879941 1064685833 /nfs/dbraw/zinc/68/58/33/1064685833.db2.gz SMSNZDIEUWFZPG-XMMPIXPASA-N 2 1 479.044 3.362 20 0 JGADMP C[N@H+]1CCN(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001298898385 1064704451 /nfs/dbraw/zinc/70/44/51/1064704451.db2.gz UNUWAHXDNIBQLV-UHFFFAOYSA-N 2 1 488.124 3.469 20 0 JGADMP CN1CC[N@H+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001298898385 1064704458 /nfs/dbraw/zinc/70/44/58/1064704458.db2.gz UNUWAHXDNIBQLV-UHFFFAOYSA-N 2 1 488.124 3.469 20 0 JGADMP CN1CC[N@@H+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001298898385 1064704470 /nfs/dbraw/zinc/70/44/70/1064704470.db2.gz UNUWAHXDNIBQLV-UHFFFAOYSA-N 2 1 488.124 3.469 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C[C@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844663 1065043964 /nfs/dbraw/zinc/04/39/64/1065043964.db2.gz UYCJHUSEKUPMLF-ZJOUEHCJSA-N 2 1 456.635 3.364 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001492383030 1065446238 /nfs/dbraw/zinc/44/62/38/1065446238.db2.gz IRZQIFHQANNSPN-UHFFFAOYSA-N 2 1 470.662 3.197 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001492383030 1065446242 /nfs/dbraw/zinc/44/62/42/1065446242.db2.gz IRZQIFHQANNSPN-UHFFFAOYSA-N 2 1 470.662 3.197 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001492384643 1065451318 /nfs/dbraw/zinc/45/13/18/1065451318.db2.gz JEKATGQYQWFJFD-UHFFFAOYSA-N 2 1 497.732 3.278 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492392039 1065464226 /nfs/dbraw/zinc/46/42/26/1065464226.db2.gz VVCUQQUZLNPJOV-HXUWFJFHSA-N 2 1 454.644 3.499 20 0 JGADMP 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 1066600602 /nfs/dbraw/zinc/60/06/02/1066600602.db2.gz KYVKKOJVWUEOCD-PIATZUFCSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001301708301 1066600609 /nfs/dbraw/zinc/60/06/09/1066600609.db2.gz KYVKKOJVWUEOCD-PIATZUFCSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001301708301 1066600613 /nfs/dbraw/zinc/60/06/13/1066600613.db2.gz KYVKKOJVWUEOCD-PIATZUFCSA-N 2 1 487.737 3.075 20 0 JGADMP CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302160404 1066618568 /nfs/dbraw/zinc/61/85/68/1066618568.db2.gz HCCUPXUHXRFTLF-UHFFFAOYSA-N 2 1 487.737 3.266 20 0 JGADMP CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302160404 1066618578 /nfs/dbraw/zinc/61/85/78/1066618578.db2.gz HCCUPXUHXRFTLF-UHFFFAOYSA-N 2 1 487.737 3.266 20 0 JGADMP COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001301735555 1066657402 /nfs/dbraw/zinc/65/74/02/1066657402.db2.gz CTYGKRAONWIVFO-HKUYNNGSSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001301735555 1066657407 /nfs/dbraw/zinc/65/74/07/1066657407.db2.gz CTYGKRAONWIVFO-HKUYNNGSSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001301735555 1066657414 /nfs/dbraw/zinc/65/74/14/1066657414.db2.gz CTYGKRAONWIVFO-HKUYNNGSSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301737366 1066659588 /nfs/dbraw/zinc/65/95/88/1066659588.db2.gz XAOFDAOMGPAUMJ-UHFFFAOYSA-N 2 1 472.678 3.363 20 0 JGADMP COCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301737366 1066659592 /nfs/dbraw/zinc/65/95/92/1066659592.db2.gz XAOFDAOMGPAUMJ-UHFFFAOYSA-N 2 1 472.678 3.363 20 0 JGADMP COCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301737366 1066659599 /nfs/dbraw/zinc/65/95/99/1066659599.db2.gz XAOFDAOMGPAUMJ-UHFFFAOYSA-N 2 1 472.678 3.363 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001302283181 1066852825 /nfs/dbraw/zinc/85/28/25/1066852825.db2.gz BNROHGHWRURLKP-VXKWHMMOSA-N 2 1 462.683 3.043 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301877739 1066880262 /nfs/dbraw/zinc/88/02/62/1066880262.db2.gz RDALBZQYWLHCOC-UXHICEINSA-N 2 1 474.625 3.198 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301883424 1066891732 /nfs/dbraw/zinc/89/17/32/1066891732.db2.gz WXWRVNABVDNGHW-UHFFFAOYSA-N 2 1 495.441 3.099 20 0 JGADMP 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 1066892029 /nfs/dbraw/zinc/89/20/29/1066892029.db2.gz ZGUYWNLKYSTPOO-LWSSLDFYSA-N 2 1 476.710 3.291 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001301887088 1066899792 /nfs/dbraw/zinc/89/97/92/1066899792.db2.gz FRMNFGUEYUHNKC-AREMUKBSSA-N 2 1 486.730 3.448 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301888788 1066904870 /nfs/dbraw/zinc/90/48/70/1066904870.db2.gz PITCBGNWZGEOTQ-PMACEKPBSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301895846 1066916287 /nfs/dbraw/zinc/91/62/87/1066916287.db2.gz ATIHOPQOSUDXGT-FGZHOGPDSA-N 2 1 454.663 3.390 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301896275 1066918939 /nfs/dbraw/zinc/91/89/39/1066918939.db2.gz HZLYOQOWDNFLBX-HSZRJFAPSA-N 2 1 458.626 3.363 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301896430 1066919533 /nfs/dbraw/zinc/91/95/33/1066919533.db2.gz JQEPWSWSKQTDCT-NRFANRHFSA-N 2 1 470.643 3.087 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@@H]1C ZINC001301900106 1066924864 /nfs/dbraw/zinc/92/48/64/1066924864.db2.gz XBDMIUOTFOXQMM-PGRDOPGGSA-N 2 1 472.037 3.386 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC001301909987 1066934056 /nfs/dbraw/zinc/93/40/56/1066934056.db2.gz AYXIIOZNIPVQBE-VWNXMTODSA-N 2 1 476.710 3.435 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301913585 1066941726 /nfs/dbraw/zinc/94/17/26/1066941726.db2.gz VHMUCAVNWZPYCJ-SFTDATJTSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301913585 1066941733 /nfs/dbraw/zinc/94/17/33/1066941733.db2.gz VHMUCAVNWZPYCJ-SFTDATJTSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301922728 1066956478 /nfs/dbraw/zinc/95/64/78/1066956478.db2.gz YNSQDERUFIUWAT-XWGVYQGASA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301922728 1066956485 /nfs/dbraw/zinc/95/64/85/1066956485.db2.gz YNSQDERUFIUWAT-XWGVYQGASA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301922728 1066956492 /nfs/dbraw/zinc/95/64/92/1066956492.db2.gz YNSQDERUFIUWAT-XWGVYQGASA-N 2 1 468.690 3.455 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001301928039 1066964999 /nfs/dbraw/zinc/96/49/99/1066964999.db2.gz RQIKDCKODPJZIZ-BJKOFHAPSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001301928039 1066965008 /nfs/dbraw/zinc/96/50/08/1066965008.db2.gz RQIKDCKODPJZIZ-BJKOFHAPSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001301928039 1066965015 /nfs/dbraw/zinc/96/50/15/1066965015.db2.gz RQIKDCKODPJZIZ-BJKOFHAPSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301933268 1066972041 /nfs/dbraw/zinc/97/20/41/1066972041.db2.gz MQVKYKGRCQAWEN-CJRSTVEYSA-N 2 1 490.737 3.333 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301934442 1066974781 /nfs/dbraw/zinc/97/47/81/1066974781.db2.gz YPRPBEQBAXXUOH-WXFUMESZSA-N 2 1 490.737 3.476 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019793 1067063777 /nfs/dbraw/zinc/06/37/77/1067063777.db2.gz KSTIRBGYEOUZIY-YMPZKCBVSA-N 2 1 470.662 3.286 20 0 JGADMP CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523379 1067144064 /nfs/dbraw/zinc/14/40/64/1067144064.db2.gz JENADBRDTQCUTM-ZEQRLZLVSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523379 1067144072 /nfs/dbraw/zinc/14/40/72/1067144072.db2.gz JENADBRDTQCUTM-ZEQRLZLVSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302571374 1067211274 /nfs/dbraw/zinc/21/12/74/1067211274.db2.gz OOFQIBBLDZXCBP-VWLOTQADSA-N 2 1 467.706 3.386 20 0 JGADMP CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302571374 1067211284 /nfs/dbraw/zinc/21/12/84/1067211284.db2.gz OOFQIBBLDZXCBP-VWLOTQADSA-N 2 1 467.706 3.386 20 0 JGADMP CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302571374 1067211293 /nfs/dbraw/zinc/21/12/93/1067211293.db2.gz OOFQIBBLDZXCBP-VWLOTQADSA-N 2 1 467.706 3.386 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171559 1067219142 /nfs/dbraw/zinc/21/91/42/1067219142.db2.gz RVYHQCMKNJDJAA-NOZRDPDXSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171559 1067219149 /nfs/dbraw/zinc/21/91/49/1067219149.db2.gz RVYHQCMKNJDJAA-NOZRDPDXSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304179198 1067228933 /nfs/dbraw/zinc/22/89/33/1067228933.db2.gz SVTFRTPHPLNJKX-XMMPIXPASA-N 2 1 484.689 3.363 20 0 JGADMP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302615095 1067249001 /nfs/dbraw/zinc/24/90/01/1067249001.db2.gz UBPYDSIRLKKTRX-HSZRJFAPSA-N 2 1 487.737 3.340 20 0 JGADMP 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 1067257863 /nfs/dbraw/zinc/25/78/63/1067257863.db2.gz FOFDWGNDYRXFRN-ROKPMTFOSA-N 2 1 464.724 3.164 20 0 JGADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304269078 1067303508 /nfs/dbraw/zinc/30/35/08/1067303508.db2.gz UUSCWFWEHNFHTH-XZOQPEGZSA-N 2 1 484.689 3.398 20 0 JGADMP Cc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304271469 1067306840 /nfs/dbraw/zinc/30/68/40/1067306840.db2.gz CJJYSSDXWFUYME-QHCPKHFHSA-N 2 1 450.635 3.210 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302690098 1067315072 /nfs/dbraw/zinc/31/50/72/1067315072.db2.gz QDKDHBKGCASLFK-HSZRJFAPSA-N 2 1 484.689 3.228 20 0 JGADMP Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304308663 1067356133 /nfs/dbraw/zinc/35/61/33/1067356133.db2.gz QNDQFLMAYSCHCS-BBTUJRGHSA-N 2 1 491.478 3.123 20 0 JGADMP CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817491 1067405147 /nfs/dbraw/zinc/40/51/47/1067405147.db2.gz DZADUZBEMAVMCP-JTHBVZDNSA-N 2 1 458.626 3.220 20 0 JGADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001302818114 1067405744 /nfs/dbraw/zinc/40/57/44/1067405744.db2.gz HFBSUJLFSVFHME-HUVFLSCGSA-N 2 1 472.653 3.141 20 0 JGADMP CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001302822874 1067411948 /nfs/dbraw/zinc/41/19/48/1067411948.db2.gz PFXHHMDOROJMLR-BKULYWANSA-N 2 1 488.652 3.129 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304376529 1067418099 /nfs/dbraw/zinc/41/80/99/1067418099.db2.gz ZMSQEVGZAUUOQR-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001302866786 1067447797 /nfs/dbraw/zinc/44/77/97/1067447797.db2.gz RAUIUSKYEJFTGQ-HXUWFJFHSA-N 2 1 454.663 3.375 20 0 JGADMP 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 1067485335 /nfs/dbraw/zinc/48/53/35/1067485335.db2.gz KVNGVZUTZZWRRT-DFIYOIEZSA-N 2 1 478.751 3.339 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001302908374 1067493072 /nfs/dbraw/zinc/49/30/72/1067493072.db2.gz KLSRHPJHCJNYJN-SZPZYZBQSA-N 2 1 472.653 3.429 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC001302908374 1067493076 /nfs/dbraw/zinc/49/30/76/1067493076.db2.gz KLSRHPJHCJNYJN-SZPZYZBQSA-N 2 1 472.653 3.429 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302909371 1067494518 /nfs/dbraw/zinc/49/45/18/1067494518.db2.gz QDBBYGNGDGFYMR-BGYRXZFFSA-N 2 1 476.616 3.178 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302909371 1067494522 /nfs/dbraw/zinc/49/45/22/1067494522.db2.gz QDBBYGNGDGFYMR-BGYRXZFFSA-N 2 1 476.616 3.178 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001302938863 1067512475 /nfs/dbraw/zinc/51/24/75/1067512475.db2.gz UGNKALBRWPVPBR-HSZRJFAPSA-N 2 1 470.710 3.290 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001302938863 1067512484 /nfs/dbraw/zinc/51/24/84/1067512484.db2.gz UGNKALBRWPVPBR-HSZRJFAPSA-N 2 1 470.710 3.290 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001302938863 1067512489 /nfs/dbraw/zinc/51/24/89/1067512489.db2.gz UGNKALBRWPVPBR-HSZRJFAPSA-N 2 1 470.710 3.290 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302961107 1067532308 /nfs/dbraw/zinc/53/23/08/1067532308.db2.gz INCPEWIALRHVRB-ISKFKSNPSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001302961107 1067532317 /nfs/dbraw/zinc/53/23/17/1067532317.db2.gz INCPEWIALRHVRB-ISKFKSNPSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001302961107 1067532323 /nfs/dbraw/zinc/53/23/23/1067532323.db2.gz INCPEWIALRHVRB-ISKFKSNPSA-N 2 1 454.663 3.034 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001304550716 1067620177 /nfs/dbraw/zinc/62/01/77/1067620177.db2.gz MFZGXSIZTNXEAS-XMMPIXPASA-N 2 1 468.690 3.455 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001304553722 1067622773 /nfs/dbraw/zinc/62/27/73/1067622773.db2.gz ZRKQWSVFBHTQIG-AREMUKBSSA-N 2 1 454.663 3.066 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001304561296 1067631585 /nfs/dbraw/zinc/63/15/85/1067631585.db2.gz NEXBPINFGYKQMQ-UHFFFAOYSA-N 2 1 454.663 3.210 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001303178629 1067711994 /nfs/dbraw/zinc/71/19/94/1067711994.db2.gz RBTVXFFGVFNZPU-UHFFFAOYSA-N 2 1 481.689 3.181 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182086 1067714313 /nfs/dbraw/zinc/71/43/13/1067714313.db2.gz FFWCXQQAIIJCGH-DEOSSOPVSA-N 2 1 454.663 3.471 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303189299 1067723521 /nfs/dbraw/zinc/72/35/21/1067723521.db2.gz QWHALVQSBRZFLO-UHFFFAOYSA-N 2 1 451.594 3.389 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(C[NH+](C)C)c2)cs1 ZINC001304657430 1067725818 /nfs/dbraw/zinc/72/58/18/1067725818.db2.gz XMJKRTOJAWWWEX-BGYRXZFFSA-N 2 1 497.713 3.289 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2cccc(C[NH+](C)C)c2)cs1 ZINC001304657430 1067725827 /nfs/dbraw/zinc/72/58/27/1067725827.db2.gz XMJKRTOJAWWWEX-BGYRXZFFSA-N 2 1 497.713 3.289 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200609 1067736473 /nfs/dbraw/zinc/73/64/73/1067736473.db2.gz CWNVSCIFDRTGQY-DNQXCXABSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200609 1067736478 /nfs/dbraw/zinc/73/64/78/1067736478.db2.gz CWNVSCIFDRTGQY-DNQXCXABSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200609 1067736481 /nfs/dbraw/zinc/73/64/81/1067736481.db2.gz CWNVSCIFDRTGQY-DNQXCXABSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200611 1067736557 /nfs/dbraw/zinc/73/65/57/1067736557.db2.gz CWNVSCIFDRTGQY-RPWUZVMVSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200611 1067736560 /nfs/dbraw/zinc/73/65/60/1067736560.db2.gz CWNVSCIFDRTGQY-RPWUZVMVSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200611 1067736564 /nfs/dbraw/zinc/73/65/64/1067736564.db2.gz CWNVSCIFDRTGQY-RPWUZVMVSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001303201445 1067737147 /nfs/dbraw/zinc/73/71/47/1067737147.db2.gz LCNZXWGGQMLBSI-DEOSSOPVSA-N 2 1 476.710 3.087 20 0 JGADMP Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304703889 1067776387 /nfs/dbraw/zinc/77/63/87/1067776387.db2.gz LEWXPULEMRQIPH-UHFFFAOYSA-N 2 1 499.063 3.377 20 0 JGADMP CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC001303255228 1067781246 /nfs/dbraw/zinc/78/12/46/1067781246.db2.gz ZVYSLKJXEAGDPG-UHFFFAOYSA-N 2 1 461.699 3.190 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303259002 1067785354 /nfs/dbraw/zinc/78/53/54/1067785354.db2.gz QAONOXQJCHPZHM-UHFFFAOYSA-N 2 1 474.719 3.334 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258701 1067785384 /nfs/dbraw/zinc/78/53/84/1067785384.db2.gz OCLVDMYOCPKSJG-GOTSBHOMSA-N 2 1 467.662 3.089 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001303263590 1067790691 /nfs/dbraw/zinc/79/06/91/1067790691.db2.gz PWLMOVZXEAXSFT-DHIUTWEWSA-N 2 1 468.694 3.065 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303264191 1067791682 /nfs/dbraw/zinc/79/16/82/1067791682.db2.gz BKOAGWOHJWOFBE-QFIPXVFZSA-N 2 1 456.635 3.441 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001303264594 1067791929 /nfs/dbraw/zinc/79/19/29/1067791929.db2.gz LVRHEZDHCZMOLC-HSZRJFAPSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001303264594 1067791935 /nfs/dbraw/zinc/79/19/35/1067791935.db2.gz LVRHEZDHCZMOLC-HSZRJFAPSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001303264594 1067791943 /nfs/dbraw/zinc/79/19/43/1067791943.db2.gz LVRHEZDHCZMOLC-HSZRJFAPSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001303268770 1067796844 /nfs/dbraw/zinc/79/68/44/1067796844.db2.gz MJGJZAZRTQCMAD-AEFFLSMTSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303268770 1067796853 /nfs/dbraw/zinc/79/68/53/1067796853.db2.gz MJGJZAZRTQCMAD-AEFFLSMTSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303268770 1067796860 /nfs/dbraw/zinc/79/68/60/1067796860.db2.gz MJGJZAZRTQCMAD-AEFFLSMTSA-N 2 1 464.456 3.059 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725636 1067797981 /nfs/dbraw/zinc/79/79/81/1067797981.db2.gz NDKUBSZLOQVQDM-HXUWFJFHSA-N 2 1 470.710 3.370 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001303277990 1067805894 /nfs/dbraw/zinc/80/58/94/1067805894.db2.gz XSLNMOQCWJOVJJ-QFIPXVFZSA-N 2 1 475.081 3.411 20 0 JGADMP CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001303291937 1067817131 /nfs/dbraw/zinc/81/71/31/1067817131.db2.gz ZRUCTEKMIQVUEJ-UHFFFAOYSA-N 2 1 479.677 3.295 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[NH+]2CCC[C@H]2CO)CC1 ZINC001303310417 1067838405 /nfs/dbraw/zinc/83/84/05/1067838405.db2.gz IEWSFJHEQRVZNG-RBZQAINGSA-N 2 1 490.737 3.354 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001303310417 1067838416 /nfs/dbraw/zinc/83/84/16/1067838416.db2.gz IEWSFJHEQRVZNG-RBZQAINGSA-N 2 1 490.737 3.354 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001303310417 1067838429 /nfs/dbraw/zinc/83/84/29/1067838429.db2.gz IEWSFJHEQRVZNG-RBZQAINGSA-N 2 1 490.737 3.354 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303310718 1067838888 /nfs/dbraw/zinc/83/88/88/1067838888.db2.gz JPDSLPZSNOQTTK-FGZHOGPDSA-N 2 1 476.710 3.228 20 0 JGADMP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001304858619 1067908375 /nfs/dbraw/zinc/90/83/75/1067908375.db2.gz CUMHYZXRTWPCDZ-FQEVSTJZSA-N 2 1 460.589 3.046 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001303402725 1067931188 /nfs/dbraw/zinc/93/11/88/1067931188.db2.gz MLHYZHZQTLGKRG-PZJWPPBQSA-N 2 1 487.718 3.481 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303405291 1067933837 /nfs/dbraw/zinc/93/38/37/1067933837.db2.gz OPYUFAMFNIWHTF-JOCHJYFZSA-N 2 1 481.689 3.392 20 0 JGADMP 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 1067971761 /nfs/dbraw/zinc/97/17/61/1067971761.db2.gz UUDLXFIGCQVWBY-DSNGMDLFSA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)c1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926926 1067971766 /nfs/dbraw/zinc/97/17/66/1067971766.db2.gz UUDLXFIGCQVWBY-DSNGMDLFSA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)c1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926926 1067971769 /nfs/dbraw/zinc/97/17/69/1067971769.db2.gz UUDLXFIGCQVWBY-DSNGMDLFSA-N 2 1 489.753 3.001 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304929672 1067978368 /nfs/dbraw/zinc/97/83/68/1067978368.db2.gz XYHKCJYJMRPRMJ-DNVJHFABSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304929672 1067978372 /nfs/dbraw/zinc/97/83/72/1067978372.db2.gz XYHKCJYJMRPRMJ-DNVJHFABSA-N 2 1 476.710 3.435 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303463696 1067983120 /nfs/dbraw/zinc/98/31/20/1067983120.db2.gz WVYXHRQAEHIMCJ-NRFANRHFSA-N 2 1 490.656 3.413 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303467779 1067986603 /nfs/dbraw/zinc/98/66/03/1067986603.db2.gz IJKKVZLAYZIMSF-QHCPKHFHSA-N 2 1 479.094 3.257 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001304980174 1068019119 /nfs/dbraw/zinc/01/91/19/1068019119.db2.gz GPZMLCRJAIZZOX-VNXZQDSDSA-N 2 1 473.710 3.045 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001303500512 1068027747 /nfs/dbraw/zinc/02/77/47/1068027747.db2.gz ICSRZZSONAYVPE-RUZDIDTESA-N 2 1 462.683 3.115 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304992041 1068033871 /nfs/dbraw/zinc/03/38/71/1068033871.db2.gz XWTLFNLPLMYUAB-WNCULLNHSA-N 2 1 483.705 3.321 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504027 1068036352 /nfs/dbraw/zinc/03/63/52/1068036352.db2.gz UCIRKNBCVAUQJX-HOFKKMOUSA-N 2 1 484.689 3.370 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](Cc4ccccc4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303505470 1068039297 /nfs/dbraw/zinc/03/92/97/1068039297.db2.gz KUKKVCFUJKZZTH-YIXXDRMTSA-N 2 1 484.689 3.370 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CC[NH+](C)C(C)C)CCOC1 ZINC001303505470 1068039309 /nfs/dbraw/zinc/03/93/09/1068039309.db2.gz KUKKVCFUJKZZTH-YIXXDRMTSA-N 2 1 484.689 3.370 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CC[NH+](C)C(C)C)CCOC1 ZINC001303505470 1068039320 /nfs/dbraw/zinc/03/93/20/1068039320.db2.gz KUKKVCFUJKZZTH-YIXXDRMTSA-N 2 1 484.689 3.370 20 0 JGADMP C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019708 1068066187 /nfs/dbraw/zinc/06/61/87/1068066187.db2.gz RGOQQKXWOZJZBI-FGZHOGPDSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@@H]1CCCC[NH+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305019708 1068066197 /nfs/dbraw/zinc/06/61/97/1068066197.db2.gz RGOQQKXWOZJZBI-FGZHOGPDSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@@H]1CCCC[NH+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305019708 1068066210 /nfs/dbraw/zinc/06/62/10/1068066210.db2.gz RGOQQKXWOZJZBI-FGZHOGPDSA-N 2 1 494.750 3.145 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025973 1068081514 /nfs/dbraw/zinc/08/15/14/1068081514.db2.gz VFKYGFWFVAPHRA-AOHZBQACSA-N 2 1 454.663 3.378 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC001305026932 1068083010 /nfs/dbraw/zinc/08/30/10/1068083010.db2.gz SCWSMLGNLCMERM-YADHBBJMSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026932 1068083024 /nfs/dbraw/zinc/08/30/24/1068083024.db2.gz SCWSMLGNLCMERM-YADHBBJMSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026932 1068083039 /nfs/dbraw/zinc/08/30/39/1068083039.db2.gz SCWSMLGNLCMERM-YADHBBJMSA-N 2 1 470.710 3.433 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(C(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303566571 1068089014 /nfs/dbraw/zinc/08/90/14/1068089014.db2.gz DWIJEMPAXAGNRX-UHFFFAOYSA-N 2 1 455.651 3.260 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001303571227 1068096276 /nfs/dbraw/zinc/09/62/76/1068096276.db2.gz JJLXERNJWJXCCP-UHFFFAOYSA-N 2 1 469.678 3.075 20 0 JGADMP C[C@H]1CCC[N@@H+](CCn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050146 1068111926 /nfs/dbraw/zinc/11/19/26/1068111926.db2.gz SNCJQAOKVFMHNI-JTHBVZDNSA-N 2 1 454.663 3.163 20 0 JGADMP C[C@H]1CCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305061380 1068127031 /nfs/dbraw/zinc/12/70/31/1068127031.db2.gz ZLXWEZJOBFOQOK-IBGZPJMESA-N 2 1 476.616 3.178 20 0 JGADMP C[C@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305061380 1068127034 /nfs/dbraw/zinc/12/70/34/1068127034.db2.gz ZLXWEZJOBFOQOK-IBGZPJMESA-N 2 1 476.616 3.178 20 0 JGADMP C[C@H]1CCC[NH+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305061380 1068127041 /nfs/dbraw/zinc/12/70/41/1068127041.db2.gz ZLXWEZJOBFOQOK-IBGZPJMESA-N 2 1 476.616 3.178 20 0 JGADMP C[C@H]1CCC[NH+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305061380 1068127047 /nfs/dbraw/zinc/12/70/47/1068127047.db2.gz ZLXWEZJOBFOQOK-IBGZPJMESA-N 2 1 476.616 3.178 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063989 1068134589 /nfs/dbraw/zinc/13/45/89/1068134589.db2.gz JTCXQZHLMPTIPS-GOTSBHOMSA-N 2 1 481.689 3.247 20 0 JGADMP 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 1068192434 /nfs/dbraw/zinc/19/24/34/1068192434.db2.gz ZHTZDBVBAJLCTO-NJDAHSKKSA-N 2 1 476.710 3.153 20 0 JGADMP C[C@H](CCn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667326 1068201872 /nfs/dbraw/zinc/20/18/72/1068201872.db2.gz QRXGQMSTEOQECV-DNQXCXABSA-N 2 1 498.716 3.402 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134322 1068221672 /nfs/dbraw/zinc/22/16/72/1068221672.db2.gz DXHDEHKDHFJWLC-QFQXNSOFSA-N 2 1 476.710 3.217 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001305153194 1068261029 /nfs/dbraw/zinc/26/10/29/1068261029.db2.gz XZCJBWBZCBRXBW-UGKGYDQZSA-N 2 1 461.054 3.486 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001305153194 1068261044 /nfs/dbraw/zinc/26/10/44/1068261044.db2.gz XZCJBWBZCBRXBW-UGKGYDQZSA-N 2 1 461.054 3.486 20 0 JGADMP 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 1068278863 /nfs/dbraw/zinc/27/88/63/1068278863.db2.gz DLPSHEWPDIIYRT-YPAWHYETSA-N 2 1 459.727 3.344 20 0 JGADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001303755169 1068318751 /nfs/dbraw/zinc/31/87/51/1068318751.db2.gz FHSURUISTIBXHQ-JOCHJYFZSA-N 2 1 458.647 3.489 20 0 JGADMP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903505 1068547506 /nfs/dbraw/zinc/54/75/06/1068547506.db2.gz RQHBAOVSEORKOP-NZQKXSOJSA-N 2 1 488.652 3.446 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305397831 1068640127 /nfs/dbraw/zinc/64/01/27/1068640127.db2.gz IZBYMBZVFFBWQO-OAQYLSRUSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305397831 1068640131 /nfs/dbraw/zinc/64/01/31/1068640131.db2.gz IZBYMBZVFFBWQO-OAQYLSRUSA-N 2 1 468.690 3.438 20 0 JGADMP 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 1068644280 /nfs/dbraw/zinc/64/42/80/1068644280.db2.gz MCNUIXKEJCIHCW-BESBDSHLSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305403579 1068644285 /nfs/dbraw/zinc/64/42/85/1068644285.db2.gz MCNUIXKEJCIHCW-BESBDSHLSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305403579 1068644288 /nfs/dbraw/zinc/64/42/88/1068644288.db2.gz MCNUIXKEJCIHCW-BESBDSHLSA-N 2 1 456.683 3.386 20 0 JGADMP 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 1068652579 /nfs/dbraw/zinc/65/25/79/1068652579.db2.gz ZNGBADAQVOBCPA-LCXINAFSSA-N 2 1 487.737 3.293 20 0 JGADMP 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 1068679087 /nfs/dbraw/zinc/67/90/87/1068679087.db2.gz MKYCYGIGFCLPKD-VSKRKVRLSA-N 2 1 476.710 3.228 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455603 1068694548 /nfs/dbraw/zinc/69/45/48/1068694548.db2.gz CTWFPUIWUKZUAA-ISKFKSNPSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455603 1068694551 /nfs/dbraw/zinc/69/45/51/1068694551.db2.gz CTWFPUIWUKZUAA-ISKFKSNPSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455603 1068694553 /nfs/dbraw/zinc/69/45/53/1068694553.db2.gz CTWFPUIWUKZUAA-ISKFKSNPSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512606 1068755412 /nfs/dbraw/zinc/75/54/12/1068755412.db2.gz GFBBMWIWSIOXEN-WPFOTENUSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001305512606 1068755423 /nfs/dbraw/zinc/75/54/23/1068755423.db2.gz GFBBMWIWSIOXEN-WPFOTENUSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001305512606 1068755431 /nfs/dbraw/zinc/75/54/31/1068755431.db2.gz GFBBMWIWSIOXEN-WPFOTENUSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305539247 1068806705 /nfs/dbraw/zinc/80/67/05/1068806705.db2.gz DFCSPQBYPJDYTG-URXFXBBRSA-N 2 1 454.663 3.269 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544258 1068819689 /nfs/dbraw/zinc/81/96/89/1068819689.db2.gz GMQUANTYWLMGES-FGZHOGPDSA-N 2 1 476.710 3.372 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544443 1068820750 /nfs/dbraw/zinc/82/07/50/1068820750.db2.gz HZMGURYNKADKCB-QPPBQGQZSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544834 1068822398 /nfs/dbraw/zinc/82/23/98/1068822398.db2.gz RTGYTMLYKLVWBH-RPBOFIJWSA-N 2 1 489.753 3.145 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305602164 1068864980 /nfs/dbraw/zinc/86/49/80/1068864980.db2.gz APLHQJYLJYPWNX-RTWAWAEBSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001305602164 1068864992 /nfs/dbraw/zinc/86/49/92/1068864992.db2.gz APLHQJYLJYPWNX-RTWAWAEBSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305602164 1068865005 /nfs/dbraw/zinc/86/50/05/1068865005.db2.gz APLHQJYLJYPWNX-RTWAWAEBSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001305603146 1068866220 /nfs/dbraw/zinc/86/62/20/1068866220.db2.gz IHWQNFVAIUCDSJ-FQEVSTJZSA-N 2 1 468.650 3.110 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001305609450 1068881632 /nfs/dbraw/zinc/88/16/32/1068881632.db2.gz DHMSLXKVSQMDOK-LEWJYISDSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001305609450 1068881645 /nfs/dbraw/zinc/88/16/45/1068881645.db2.gz DHMSLXKVSQMDOK-LEWJYISDSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001305609450 1068881653 /nfs/dbraw/zinc/88/16/53/1068881653.db2.gz DHMSLXKVSQMDOK-LEWJYISDSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001305613954 1068890651 /nfs/dbraw/zinc/89/06/51/1068890651.db2.gz YFRMCKWMNSHOAZ-FQEVSTJZSA-N 2 1 453.660 3.497 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615258 1068892814 /nfs/dbraw/zinc/89/28/14/1068892814.db2.gz UKXRMJKTRNTFSR-SFHVURJKSA-N 2 1 459.639 3.047 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305615258 1068892821 /nfs/dbraw/zinc/89/28/21/1068892821.db2.gz UKXRMJKTRNTFSR-SFHVURJKSA-N 2 1 459.639 3.047 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305615258 1068892828 /nfs/dbraw/zinc/89/28/28/1068892828.db2.gz UKXRMJKTRNTFSR-SFHVURJKSA-N 2 1 459.639 3.047 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305615561 1068893631 /nfs/dbraw/zinc/89/36/31/1068893631.db2.gz QCCZFPGDHWPQTJ-OAQYLSRUSA-N 2 1 483.709 3.103 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305615765 1068894345 /nfs/dbraw/zinc/89/43/45/1068894345.db2.gz CFNAHOREERYXOG-OAQYLSRUSA-N 2 1 470.662 3.300 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305615765 1068894356 /nfs/dbraw/zinc/89/43/56/1068894356.db2.gz CFNAHOREERYXOG-OAQYLSRUSA-N 2 1 470.662 3.300 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305618709 1068901984 /nfs/dbraw/zinc/90/19/84/1068901984.db2.gz DGPADDZSDKYEJB-QUCCMNQESA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305618709 1068902001 /nfs/dbraw/zinc/90/20/01/1068902001.db2.gz DGPADDZSDKYEJB-QUCCMNQESA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305618709 1068902017 /nfs/dbraw/zinc/90/20/17/1068902017.db2.gz DGPADDZSDKYEJB-QUCCMNQESA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305618709 1068902030 /nfs/dbraw/zinc/90/20/30/1068902030.db2.gz DGPADDZSDKYEJB-QUCCMNQESA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001305620514 1068905754 /nfs/dbraw/zinc/90/57/54/1068905754.db2.gz LONOPXSVBKPUCH-WOJBJXKFSA-N 2 1 473.691 3.076 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001305620514 1068905760 /nfs/dbraw/zinc/90/57/60/1068905760.db2.gz LONOPXSVBKPUCH-WOJBJXKFSA-N 2 1 473.691 3.076 20 0 JGADMP 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 1068908233 /nfs/dbraw/zinc/90/82/33/1068908233.db2.gz MSBZNFZPCGUFCG-UEQSERJNSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621592 1068908239 /nfs/dbraw/zinc/90/82/39/1068908239.db2.gz MSBZNFZPCGUFCG-UEQSERJNSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621592 1068908246 /nfs/dbraw/zinc/90/82/46/1068908246.db2.gz MSBZNFZPCGUFCG-UEQSERJNSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305622237 1068910427 /nfs/dbraw/zinc/91/04/27/1068910427.db2.gz OUTKHUQBNPYXHC-MYDTUXCISA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305622237 1068910443 /nfs/dbraw/zinc/91/04/43/1068910443.db2.gz OUTKHUQBNPYXHC-MYDTUXCISA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658711 1068998249 /nfs/dbraw/zinc/99/82/49/1068998249.db2.gz FXDKRHUWLZDPNE-WPFOTENUSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658711 1068998261 /nfs/dbraw/zinc/99/82/61/1068998261.db2.gz FXDKRHUWLZDPNE-WPFOTENUSA-N 2 1 454.663 3.461 20 0 JGADMP 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 1069117637 /nfs/dbraw/zinc/11/76/37/1069117637.db2.gz JFNWUDLJAPSTKF-NANGSVCXSA-N 2 1 476.710 3.358 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305715628 1069121160 /nfs/dbraw/zinc/12/11/60/1069121160.db2.gz NGGKDAQJIZIHKH-PMVMPFDFSA-N 2 1 462.683 3.187 20 0 JGADMP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001305718008 1069125365 /nfs/dbraw/zinc/12/53/65/1069125365.db2.gz XKTHBAIDZHQOPS-PKTZIBPZSA-N 2 1 456.683 3.181 20 0 JGADMP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001305718009 1069125509 /nfs/dbraw/zinc/12/55/09/1069125509.db2.gz XKTHBAIDZHQOPS-XZOQPEGZSA-N 2 1 456.683 3.181 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001305776897 1069261448 /nfs/dbraw/zinc/26/14/48/1069261448.db2.gz RQBSRJRIQIMJSS-OAQYLSRUSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001305776897 1069261452 /nfs/dbraw/zinc/26/14/52/1069261452.db2.gz RQBSRJRIQIMJSS-OAQYLSRUSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001305776897 1069261464 /nfs/dbraw/zinc/26/14/64/1069261464.db2.gz RQBSRJRIQIMJSS-OAQYLSRUSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305780358 1069270627 /nfs/dbraw/zinc/27/06/27/1069270627.db2.gz CBDOMCFWTLVWSP-WOJBJXKFSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305780358 1069270631 /nfs/dbraw/zinc/27/06/31/1069270631.db2.gz CBDOMCFWTLVWSP-WOJBJXKFSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305786144 1069289096 /nfs/dbraw/zinc/28/90/96/1069289096.db2.gz RCSBTMNBYTZLMU-SIKLNZKXSA-N 2 1 455.651 3.030 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164417985 718892502 /nfs/dbraw/zinc/89/25/02/718892502.db2.gz MJVHEYIMVOPXBD-CVDCTZTESA-N 2 1 457.663 3.239 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)c2c1CC[NH2+]C2 ZINC001164681361 719653114 /nfs/dbraw/zinc/65/31/14/719653114.db2.gz MJDASDPLDFRZNI-UHFFFAOYSA-N 3 1 450.965 3.392 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)c2c1CC[NH2+]C2 ZINC001164681361 719653122 /nfs/dbraw/zinc/65/31/22/719653122.db2.gz MJDASDPLDFRZNI-UHFFFAOYSA-N 3 1 450.965 3.392 20 0 JGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715626 720203935 /nfs/dbraw/zinc/20/39/35/720203935.db2.gz LHUZJZIRHBCQSH-VWNXMTODSA-N 2 1 467.662 3.363 20 0 JGADMP COc1ccc(CN(C)c2cc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164822314 720350236 /nfs/dbraw/zinc/35/02/36/720350236.db2.gz DHLSAXCKYAUJRU-ZEQRLZLVSA-N 2 1 478.641 3.033 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1C[NH+]1CC[C@H](CO)C1 ZINC001164729289 720416522 /nfs/dbraw/zinc/41/65/22/720416522.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[NH+]3Cc2cccnc2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164729289 720416529 /nfs/dbraw/zinc/41/65/29/720416529.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[NH+]3Cc2cccnc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164729289 720416540 /nfs/dbraw/zinc/41/65/40/720416540.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 2 1 492.668 3.129 20 0 JGADMP CCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164843850 720701074 /nfs/dbraw/zinc/70/10/74/720701074.db2.gz RJVSDTZNDDEYPM-HSZRJFAPSA-N 2 1 451.615 3.136 20 0 JGADMP c1ccc(CN2CCc3c(ncnc3N(c3nc(N4CCCC4)nc4c3CNCC4)C3CC3)C2)cc1 ZINC001164844957 720743405 /nfs/dbraw/zinc/74/34/05/720743405.db2.gz VUUPUKPAEFDWIQ-UHFFFAOYSA-N 2 1 482.636 3.371 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749331 720832767 /nfs/dbraw/zinc/83/27/67/720832767.db2.gz VPUUAUPPNLQBBJ-JBRSBNLGSA-N 2 1 468.609 3.451 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749331 720832771 /nfs/dbraw/zinc/83/27/71/720832771.db2.gz VPUUAUPPNLQBBJ-JBRSBNLGSA-N 2 1 468.609 3.451 20 0 JGADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164853368 720875632 /nfs/dbraw/zinc/87/56/32/720875632.db2.gz CCHFHNVCCCAWNM-PZJWPPBQSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164853368 720875634 /nfs/dbraw/zinc/87/56/34/720875634.db2.gz CCHFHNVCCCAWNM-PZJWPPBQSA-N 2 1 485.698 3.339 20 0 JGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746455 720926754 /nfs/dbraw/zinc/92/67/54/720926754.db2.gz AFLBPZNSNRSUMW-NAKRPHOHSA-N 2 1 492.668 3.005 20 0 JGADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164778233 721342716 /nfs/dbraw/zinc/34/27/16/721342716.db2.gz LPXLLIAQNIGMDF-DEOSSOPVSA-N 2 1 475.037 3.321 20 0 JGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164778233 721342722 /nfs/dbraw/zinc/34/27/22/721342722.db2.gz LPXLLIAQNIGMDF-DEOSSOPVSA-N 2 1 475.037 3.321 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)C2)cc1 ZINC001164958796 722050841 /nfs/dbraw/zinc/05/08/41/722050841.db2.gz GKVQIIMUVUNTHI-BBVWWWHTSA-N 2 1 456.594 3.335 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)C2)cc1 ZINC001164958796 722050843 /nfs/dbraw/zinc/05/08/43/722050843.db2.gz GKVQIIMUVUNTHI-BBVWWWHTSA-N 2 1 456.594 3.335 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)C2)cc1 ZINC001164958798 722050907 /nfs/dbraw/zinc/05/09/07/722050907.db2.gz GKVQIIMUVUNTHI-QQSVUBKYSA-N 2 1 456.594 3.335 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)C2)cc1 ZINC001164958798 722050910 /nfs/dbraw/zinc/05/09/10/722050910.db2.gz GKVQIIMUVUNTHI-QQSVUBKYSA-N 2 1 456.594 3.335 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001298236375 1064142023 /nfs/dbraw/zinc/14/20/23/1064142023.db2.gz SZZWZGCUILYACH-JOCHJYFZSA-N 2 1 469.678 3.255 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001298236375 1064142032 /nfs/dbraw/zinc/14/20/32/1064142032.db2.gz SZZWZGCUILYACH-JOCHJYFZSA-N 2 1 469.678 3.255 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001298240771 1064146700 /nfs/dbraw/zinc/14/67/00/1064146700.db2.gz WKYBVIOQQUBCBC-NRFANRHFSA-N 2 1 462.683 3.189 20 0 JGADMP C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001298889744 1064699437 /nfs/dbraw/zinc/69/94/37/1064699437.db2.gz WDLOZORWFIZDQM-HXUWFJFHSA-N 2 1 487.718 3.311 20 0 JGADMP COc1cc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299842624 1065039411 /nfs/dbraw/zinc/03/94/11/1065039411.db2.gz AWPQTFNIFRICTL-TZIWHRDSSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842624 1065039425 /nfs/dbraw/zinc/03/94/25/1065039425.db2.gz AWPQTFNIFRICTL-TZIWHRDSSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842624 1065039436 /nfs/dbraw/zinc/03/94/36/1065039436.db2.gz AWPQTFNIFRICTL-TZIWHRDSSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844659 1065043907 /nfs/dbraw/zinc/04/39/07/1065043907.db2.gz UYCJHUSEKUPMLF-DYXWJJEUSA-N 2 1 456.635 3.364 20 0 JGADMP COc1cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC001299854791 1065062934 /nfs/dbraw/zinc/06/29/34/1065062934.db2.gz NCOFYNKZARKXFD-UHFFFAOYSA-N 2 1 497.644 3.487 20 0 JGADMP COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC001299854791 1065062948 /nfs/dbraw/zinc/06/29/48/1065062948.db2.gz NCOFYNKZARKXFD-UHFFFAOYSA-N 2 1 497.644 3.487 20 0 JGADMP COc1cc(OC)cc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001299946476 1065220734 /nfs/dbraw/zinc/22/07/34/1065220734.db2.gz FKLHQFFVTDCTHU-UHFFFAOYSA-N 2 1 454.619 3.145 20 0 JGADMP COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC[NH+]2CC=CCC2)c1 ZINC001299946476 1065220745 /nfs/dbraw/zinc/22/07/45/1065220745.db2.gz FKLHQFFVTDCTHU-UHFFFAOYSA-N 2 1 454.619 3.145 20 0 JGADMP COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+]2CC=CCC2)c1 ZINC001299946476 1065220755 /nfs/dbraw/zinc/22/07/55/1065220755.db2.gz FKLHQFFVTDCTHU-UHFFFAOYSA-N 2 1 454.619 3.145 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299990747 1065294656 /nfs/dbraw/zinc/29/46/56/1065294656.db2.gz MSKCTGYRDIBGDT-XMMPIXPASA-N 2 1 498.716 3.353 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001299990747 1065294665 /nfs/dbraw/zinc/29/46/65/1065294665.db2.gz MSKCTGYRDIBGDT-XMMPIXPASA-N 2 1 498.716 3.353 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492392022 1065464283 /nfs/dbraw/zinc/46/42/83/1065464283.db2.gz VVCUQQUZLNPJOV-FQEVSTJZSA-N 2 1 454.644 3.499 20 0 JGADMP Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454712 1065505646 /nfs/dbraw/zinc/50/56/46/1065505646.db2.gz ZAKKDWQVANNCKQ-NHCUHLMSSA-N 2 1 458.676 3.130 20 0 JGADMP CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001302078770 1066492649 /nfs/dbraw/zinc/49/26/49/1066492649.db2.gz BSRLHILJLJVYNL-UHFFFAOYSA-N 2 1 487.737 3.366 20 0 JGADMP CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001302078770 1066492656 /nfs/dbraw/zinc/49/26/56/1066492656.db2.gz BSRLHILJLJVYNL-UHFFFAOYSA-N 2 1 487.737 3.366 20 0 JGADMP CC(C)(C)c1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302079142 1066493299 /nfs/dbraw/zinc/49/32/99/1066493299.db2.gz HZXWXYGMMXNGMB-HSZRJFAPSA-N 2 1 472.653 3.274 20 0 JGADMP CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[NH+]1CCCO ZINC001302079142 1066493306 /nfs/dbraw/zinc/49/33/06/1066493306.db2.gz HZXWXYGMMXNGMB-HSZRJFAPSA-N 2 1 472.653 3.274 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302092752 1066520525 /nfs/dbraw/zinc/52/05/25/1066520525.db2.gz JRZULZQUGQIGDG-YADHBBJMSA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302092748 1066520838 /nfs/dbraw/zinc/52/08/38/1066520838.db2.gz JRZULZQUGQIGDG-FGZHOGPDSA-N 2 1 462.683 3.187 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301706970 1066597000 /nfs/dbraw/zinc/59/70/00/1066597000.db2.gz AAUVPHPPWYSVPM-WIOPSUGQSA-N 2 1 473.710 3.012 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301709047 1066602125 /nfs/dbraw/zinc/60/21/25/1066602125.db2.gz RUKPQQUVXLEWDI-UKILVPOCSA-N 2 1 487.737 3.122 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001301726087 1066642415 /nfs/dbraw/zinc/64/24/15/1066642415.db2.gz OIPCFNKJOFGWGS-QGZVFWFLSA-N 2 1 497.507 3.412 20 0 JGADMP COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001301726893 1066643762 /nfs/dbraw/zinc/64/37/62/1066643762.db2.gz WYFULAOQJBPGFF-MHZLTWQESA-N 2 1 484.689 3.122 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001301726893 1066643767 /nfs/dbraw/zinc/64/37/67/1066643767.db2.gz WYFULAOQJBPGFF-MHZLTWQESA-N 2 1 484.689 3.122 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001301740422 1066662210 /nfs/dbraw/zinc/66/22/10/1066662210.db2.gz KDVCWINMVOJDFO-JWQCQUIFSA-N 2 1 498.716 3.406 20 0 JGADMP CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001302202939 1066698647 /nfs/dbraw/zinc/69/86/47/1066698647.db2.gz LNLINDKDBZEZEV-DEOSSOPVSA-N 2 1 468.690 3.221 20 0 JGADMP C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001302226729 1066739795 /nfs/dbraw/zinc/73/97/95/1066739795.db2.gz LAIGQRMROYOTDY-JOCHJYFZSA-N 2 1 458.647 3.346 20 0 JGADMP COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001301874277 1066874929 /nfs/dbraw/zinc/87/49/29/1066874929.db2.gz GYYWDPWRAHHMRA-HSZRJFAPSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001301874277 1066874937 /nfs/dbraw/zinc/87/49/37/1066874937.db2.gz GYYWDPWRAHHMRA-HSZRJFAPSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001301874373 1066874972 /nfs/dbraw/zinc/87/49/72/1066874972.db2.gz HULPRYDOIHLMCL-QPPBQGQZSA-N 2 1 470.662 3.404 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301878207 1066880905 /nfs/dbraw/zinc/88/09/05/1066880905.db2.gz ULCFCRGXLJGVKG-GMAHTHKFSA-N 2 1 470.662 3.288 20 0 JGADMP 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 1066892079 /nfs/dbraw/zinc/89/20/79/1066892079.db2.gz ZGUYWNLKYSTPOO-ZJZGAYNASA-N 2 1 476.710 3.291 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001301886102 1066896082 /nfs/dbraw/zinc/89/60/82/1066896082.db2.gz RMPHSMOGSJJYNG-FGZHOGPDSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C[C@@H]1C ZINC001301888528 1066904462 /nfs/dbraw/zinc/90/44/62/1066904462.db2.gz RIWVKIUNYJJCLV-SFHVURJKSA-N 2 1 465.017 3.380 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904957 /nfs/dbraw/zinc/90/49/57/1066904957.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904962 /nfs/dbraw/zinc/90/49/62/1066904962.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904966 /nfs/dbraw/zinc/90/49/66/1066904966.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001301891493 1066910682 /nfs/dbraw/zinc/91/06/82/1066910682.db2.gz ORECPYJWEJZGDV-NRFANRHFSA-N 2 1 470.643 3.087 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301890921 1066910709 /nfs/dbraw/zinc/91/07/09/1066910709.db2.gz MNKHIZGORUMTKC-JOCHJYFZSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001301893058 1066914330 /nfs/dbraw/zinc/91/43/30/1066914330.db2.gz ZVTCPYMBDBOWMK-TZIWHRDSSA-N 2 1 454.644 3.466 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918009 /nfs/dbraw/zinc/91/80/09/1066918009.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918018 /nfs/dbraw/zinc/91/80/18/1066918018.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918030 /nfs/dbraw/zinc/91/80/30/1066918030.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301896431 1066919738 /nfs/dbraw/zinc/91/97/38/1066919738.db2.gz JQEPWSWSKQTDCT-OAQYLSRUSA-N 2 1 470.643 3.087 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001301900107 1066924806 /nfs/dbraw/zinc/92/48/06/1066924806.db2.gz XBDMIUOTFOXQMM-XMSQKQJNSA-N 2 1 472.037 3.386 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301910884 1066935570 /nfs/dbraw/zinc/93/55/70/1066935570.db2.gz JSVMGQAOBUVOFD-FQRUVTKNSA-N 2 1 490.643 3.426 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301913582 1066941861 /nfs/dbraw/zinc/94/18/61/1066941861.db2.gz VHMUCAVNWZPYCJ-NHCUHLMSSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301913582 1066941876 /nfs/dbraw/zinc/94/18/76/1066941876.db2.gz VHMUCAVNWZPYCJ-NHCUHLMSSA-N 2 1 475.081 3.411 20 0 JGADMP 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 1066943282 /nfs/dbraw/zinc/94/32/82/1066943282.db2.gz NSSGMOBLIZUPSR-ODAXIHTASA-N 2 1 476.710 3.433 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001301914133 1066943353 /nfs/dbraw/zinc/94/33/53/1066943353.db2.gz ZRSBQFPHPDXJKL-FQEVSTJZSA-N 2 1 476.616 3.180 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301919217 1066951095 /nfs/dbraw/zinc/95/10/95/1066951095.db2.gz GOYLYMWQNJXKEV-JOCHJYFZSA-N 2 1 472.653 3.144 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301919217 1066951103 /nfs/dbraw/zinc/95/11/03/1066951103.db2.gz GOYLYMWQNJXKEV-JOCHJYFZSA-N 2 1 472.653 3.144 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301927570 1066962639 /nfs/dbraw/zinc/96/26/39/1066962639.db2.gz JQWUPSFISDNBQD-HSZRJFAPSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301927575 1066963307 /nfs/dbraw/zinc/96/33/07/1066963307.db2.gz JRMDIYGHJIPHQE-XZOQPEGZSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301927575 1066963315 /nfs/dbraw/zinc/96/33/15/1066963315.db2.gz JRMDIYGHJIPHQE-XZOQPEGZSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301927575 1066963323 /nfs/dbraw/zinc/96/33/23/1066963323.db2.gz JRMDIYGHJIPHQE-XZOQPEGZSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301928903 1066965698 /nfs/dbraw/zinc/96/56/98/1066965698.db2.gz YDJKPHBRWWMKRX-ISKFKSNPSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928903 1066965709 /nfs/dbraw/zinc/96/57/09/1066965709.db2.gz YDJKPHBRWWMKRX-ISKFKSNPSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928903 1066965720 /nfs/dbraw/zinc/96/57/20/1066965720.db2.gz YDJKPHBRWWMKRX-ISKFKSNPSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301932705 1066971315 /nfs/dbraw/zinc/97/13/15/1066971315.db2.gz IXJLTIWNTJBVMR-DNVJHFABSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001303959329 1067013876 /nfs/dbraw/zinc/01/38/76/1067013876.db2.gz KOWMPMFONMTOAS-UHFFFAOYSA-N 2 1 482.677 3.358 20 0 JGADMP CC(C)(C)[NH+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001303959329 1067013886 /nfs/dbraw/zinc/01/38/86/1067013886.db2.gz KOWMPMFONMTOAS-UHFFFAOYSA-N 2 1 482.677 3.358 20 0 JGADMP CC(C)(C)[NH+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001303959329 1067013895 /nfs/dbraw/zinc/01/38/95/1067013895.db2.gz KOWMPMFONMTOAS-UHFFFAOYSA-N 2 1 482.677 3.358 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030156 1067078242 /nfs/dbraw/zinc/07/82/42/1067078242.db2.gz NLFXJBRDTSSMTA-PKTZIBPZSA-N 2 1 470.662 3.288 20 0 JGADMP CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523377 1067143950 /nfs/dbraw/zinc/14/39/50/1067143950.db2.gz JENADBRDTQCUTM-DNQXCXABSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523377 1067143954 /nfs/dbraw/zinc/14/39/54/1067143954.db2.gz JENADBRDTQCUTM-DNQXCXABSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302526948 1067152381 /nfs/dbraw/zinc/15/23/81/1067152381.db2.gz WSPNIUXFGDWNIJ-GOTSBHOMSA-N 2 1 476.710 3.087 20 0 JGADMP CC(C)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302569893 1067209279 /nfs/dbraw/zinc/20/92/79/1067209279.db2.gz KBGAEBGNSFTJSR-QHCPKHFHSA-N 2 1 454.663 3.349 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC001302595226 1067232601 /nfs/dbraw/zinc/23/26/01/1067232601.db2.gz PNLZYHIEHRLKEN-VSKRKVRLSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC001302595226 1067232610 /nfs/dbraw/zinc/23/26/10/1067232610.db2.gz PNLZYHIEHRLKEN-VSKRKVRLSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302595226 1067232616 /nfs/dbraw/zinc/23/26/16/1067232616.db2.gz PNLZYHIEHRLKEN-VSKRKVRLSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302595226 1067232623 /nfs/dbraw/zinc/23/26/23/1067232623.db2.gz PNLZYHIEHRLKEN-VSKRKVRLSA-N 2 1 454.663 3.394 20 0 JGADMP CSC1(Cn2c(Cc3csc(C)n3)nnc2N2CCC[N@H+](C(C)C)CC2)CC[NH+](C)CC1 ZINC001302622655 1067252747 /nfs/dbraw/zinc/25/27/47/1067252747.db2.gz NEAOWHKZRZAOKW-UHFFFAOYSA-N 2 1 477.748 3.382 20 0 JGADMP 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 1067257973 /nfs/dbraw/zinc/25/79/73/1067257973.db2.gz FOFDWGNDYRXFRN-JXALWOEJSA-N 2 1 464.724 3.164 20 0 JGADMP Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304276803 1067315124 /nfs/dbraw/zinc/31/51/24/1067315124.db2.gz VPPMKJFDLDHYHM-HSZRJFAPSA-N 2 1 467.662 3.046 20 0 JGADMP Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304279299 1067319785 /nfs/dbraw/zinc/31/97/85/1067319785.db2.gz UDMYQIAFWVAKQH-VWNXMTODSA-N 2 1 454.663 3.246 20 0 JGADMP CC(C)C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001302821031 1067409230 /nfs/dbraw/zinc/40/92/30/1067409230.db2.gz TVATUONUBMTBAJ-RTWAWAEBSA-N 2 1 490.643 3.282 20 0 JGADMP CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001302822873 1067411989 /nfs/dbraw/zinc/41/19/89/1067411989.db2.gz PFXHHMDOROJMLR-BGWNEDDSSA-N 2 1 488.652 3.129 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+](C)C2CC2)cc1C ZINC001304375067 1067414261 /nfs/dbraw/zinc/41/42/61/1067414261.db2.gz JALNEIRIBKQELC-OAQYLSRUSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+](C)C2CC2)cc1C ZINC001304375067 1067414263 /nfs/dbraw/zinc/41/42/63/1067414263.db2.gz JALNEIRIBKQELC-OAQYLSRUSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1C ZINC001304375067 1067414267 /nfs/dbraw/zinc/41/42/67/1067414267.db2.gz JALNEIRIBKQELC-OAQYLSRUSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304375067 1067414269 /nfs/dbraw/zinc/41/42/69/1067414269.db2.gz JALNEIRIBKQELC-OAQYLSRUSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1[nH+]ccn1CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001304385277 1067437592 /nfs/dbraw/zinc/43/75/92/1067437592.db2.gz YETKGZCARMCZMV-UHFFFAOYSA-N 2 1 464.618 3.273 20 0 JGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001302865655 1067446634 /nfs/dbraw/zinc/44/66/34/1067446634.db2.gz BGJPKGIWUXYIDL-JOCHJYFZSA-N 2 1 467.706 3.312 20 0 JGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302865655 1067446635 /nfs/dbraw/zinc/44/66/35/1067446635.db2.gz BGJPKGIWUXYIDL-JOCHJYFZSA-N 2 1 467.706 3.312 20 0 JGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001302865655 1067446636 /nfs/dbraw/zinc/44/66/36/1067446636.db2.gz BGJPKGIWUXYIDL-JOCHJYFZSA-N 2 1 467.706 3.312 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001304407135 1067471613 /nfs/dbraw/zinc/47/16/13/1067471613.db2.gz IVUSUDKUKGBDQG-SANMLTNESA-N 2 1 470.662 3.197 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001304407135 1067471617 /nfs/dbraw/zinc/47/16/17/1067471617.db2.gz IVUSUDKUKGBDQG-SANMLTNESA-N 2 1 470.662 3.197 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1C ZINC001304410926 1067478220 /nfs/dbraw/zinc/47/82/20/1067478220.db2.gz XZDKDZPJEVIRAP-HHHXNRCGSA-N 2 1 484.689 3.097 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001304410926 1067478229 /nfs/dbraw/zinc/47/82/29/1067478229.db2.gz XZDKDZPJEVIRAP-HHHXNRCGSA-N 2 1 484.689 3.097 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001304410926 1067478232 /nfs/dbraw/zinc/47/82/32/1067478232.db2.gz XZDKDZPJEVIRAP-HHHXNRCGSA-N 2 1 484.689 3.097 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302905401 1067490462 /nfs/dbraw/zinc/49/04/62/1067490462.db2.gz NUSMLBLRDAPAQR-BDTNDASRSA-N 2 1 462.683 3.330 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302905401 1067490466 /nfs/dbraw/zinc/49/04/66/1067490466.db2.gz NUSMLBLRDAPAQR-BDTNDASRSA-N 2 1 462.683 3.330 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001302962033 1067533382 /nfs/dbraw/zinc/53/33/82/1067533382.db2.gz STMHYXOAGNAACM-XMMPIXPASA-N 2 1 454.663 3.207 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302964801 1067534889 /nfs/dbraw/zinc/53/48/89/1067534889.db2.gz JLSKXIVTPMUHIS-GOTSBHOMSA-N 2 1 458.626 3.220 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCSCC2)n1 ZINC001304467617 1067546100 /nfs/dbraw/zinc/54/61/00/1067546100.db2.gz OSVQGSPZKICQAJ-UHFFFAOYSA-N 2 1 457.692 3.254 20 0 JGADMP Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001304508579 1067582675 /nfs/dbraw/zinc/58/26/75/1067582675.db2.gz IQBDTIDVFKNIAO-UHFFFAOYSA-N 2 1 470.662 3.197 20 0 JGADMP Cc1cccc(OCc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304511879 1067588229 /nfs/dbraw/zinc/58/82/29/1067588229.db2.gz JDWGZJJUHUCVHV-UHFFFAOYSA-N 2 1 470.662 3.197 20 0 JGADMP Cc1ccccc1-c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304535551 1067606159 /nfs/dbraw/zinc/60/61/59/1067606159.db2.gz PXYAFCUUOUNSLK-XMMPIXPASA-N 2 1 495.716 3.364 20 0 JGADMP Cc1ccccc1-c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001304535551 1067606162 /nfs/dbraw/zinc/60/61/62/1067606162.db2.gz PXYAFCUUOUNSLK-XMMPIXPASA-N 2 1 495.716 3.364 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001304553725 1067622803 /nfs/dbraw/zinc/62/28/03/1067622803.db2.gz ZRKQWSVFBHTQIG-SANMLTNESA-N 2 1 454.663 3.066 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001303255116 1067780750 /nfs/dbraw/zinc/78/07/50/1067780750.db2.gz WCFSFQGFJINVJI-QFIPXVFZSA-N 2 1 487.718 3.435 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001303256404 1067783444 /nfs/dbraw/zinc/78/34/44/1067783444.db2.gz KDTPNFCGTDLGRO-VWLOTQADSA-N 2 1 495.716 3.444 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001303256404 1067783451 /nfs/dbraw/zinc/78/34/51/1067783451.db2.gz KDTPNFCGTDLGRO-VWLOTQADSA-N 2 1 495.716 3.444 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001303256404 1067783456 /nfs/dbraw/zinc/78/34/56/1067783456.db2.gz KDTPNFCGTDLGRO-VWLOTQADSA-N 2 1 495.716 3.444 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001303263592 1067790855 /nfs/dbraw/zinc/79/08/55/1067790855.db2.gz PWLMOVZXEAXSFT-GOTSBHOMSA-N 2 1 468.694 3.065 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001303264624 1067792103 /nfs/dbraw/zinc/79/21/03/1067792103.db2.gz MLJXGEFWFRHGEC-UHFFFAOYSA-N 2 1 466.634 3.245 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001303264624 1067792109 /nfs/dbraw/zinc/79/21/09/1067792109.db2.gz MLJXGEFWFRHGEC-UHFFFAOYSA-N 2 1 466.634 3.245 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001303264624 1067792115 /nfs/dbraw/zinc/79/21/15/1067792115.db2.gz MLJXGEFWFRHGEC-UHFFFAOYSA-N 2 1 466.634 3.245 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001303268775 1067796902 /nfs/dbraw/zinc/79/69/02/1067796902.db2.gz MJGJZAZRTQCMAD-SJLPKXTDSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001303268775 1067796913 /nfs/dbraw/zinc/79/69/13/1067796913.db2.gz MJGJZAZRTQCMAD-SJLPKXTDSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303268775 1067796923 /nfs/dbraw/zinc/79/69/23/1067796923.db2.gz MJGJZAZRTQCMAD-SJLPKXTDSA-N 2 1 464.456 3.059 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001304726590 1067799167 /nfs/dbraw/zinc/79/91/67/1067799167.db2.gz YFCWIROWPDIOMN-UHFFFAOYSA-N 2 1 470.710 3.271 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001303278478 1067806592 /nfs/dbraw/zinc/80/65/92/1067806592.db2.gz GJPAPBONHRFFED-YMPZKCBVSA-N 2 1 476.710 3.226 20 0 JGADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001303278478 1067806597 /nfs/dbraw/zinc/80/65/97/1067806597.db2.gz GJPAPBONHRFFED-YMPZKCBVSA-N 2 1 476.710 3.226 20 0 JGADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303278478 1067806603 /nfs/dbraw/zinc/80/66/03/1067806603.db2.gz GJPAPBONHRFFED-YMPZKCBVSA-N 2 1 476.710 3.226 20 0 JGADMP CC(C)[NH+](CCCn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(C)C ZINC001303291551 1067816280 /nfs/dbraw/zinc/81/62/80/1067816280.db2.gz JQWDODNLIWTHTK-HSZRJFAPSA-N 2 1 483.705 3.462 20 0 JGADMP CC(C)[N@H+]1CCC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001303305190 1067833084 /nfs/dbraw/zinc/83/30/84/1067833084.db2.gz OTVHLCNFBCJIEI-HXUWFJFHSA-N 2 1 487.718 3.311 20 0 JGADMP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCOCC2)CC1 ZINC001303307891 1067836097 /nfs/dbraw/zinc/83/60/97/1067836097.db2.gz MBRUHUIPEIQNLJ-UHFFFAOYSA-N 2 1 491.478 3.350 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCOCC2)CC1 ZINC001303307891 1067836107 /nfs/dbraw/zinc/83/61/07/1067836107.db2.gz MBRUHUIPEIQNLJ-UHFFFAOYSA-N 2 1 491.478 3.350 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)C2CCCC2)CC1 ZINC001303308064 1067836564 /nfs/dbraw/zinc/83/65/64/1067836564.db2.gz PQUPXOWEQLGFCW-UHFFFAOYSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001303308064 1067836576 /nfs/dbraw/zinc/83/65/76/1067836576.db2.gz PQUPXOWEQLGFCW-UHFFFAOYSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001303308064 1067836581 /nfs/dbraw/zinc/83/65/81/1067836581.db2.gz PQUPXOWEQLGFCW-UHFFFAOYSA-N 2 1 488.702 3.144 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304755302 1067837624 /nfs/dbraw/zinc/83/76/24/1067837624.db2.gz ADTLQNFXBUTURC-XMMPIXPASA-N 2 1 470.710 3.428 20 0 JGADMP 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 1067839629 /nfs/dbraw/zinc/83/96/29/1067839629.db2.gz LOMKURQNZCNZAT-VSKRKVRLSA-N 2 1 489.709 3.454 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001303310776 1067839636 /nfs/dbraw/zinc/83/96/36/1067839636.db2.gz LOMKURQNZCNZAT-VSKRKVRLSA-N 2 1 489.709 3.454 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001303310776 1067839641 /nfs/dbraw/zinc/83/96/41/1067839641.db2.gz LOMKURQNZCNZAT-VSKRKVRLSA-N 2 1 489.709 3.454 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC[NH+]1CCCCCC1 ZINC001303326353 1067855377 /nfs/dbraw/zinc/85/53/77/1067855377.db2.gz AGDOUULJDVYEDW-QHCPKHFHSA-N 2 1 467.662 3.003 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303328739 1067856663 /nfs/dbraw/zinc/85/66/63/1067856663.db2.gz QJSMHESGSGYVFI-QHCPKHFHSA-N 2 1 481.689 3.249 20 0 JGADMP 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 1067856869 /nfs/dbraw/zinc/85/68/69/1067856869.db2.gz XPURIVODTWQLQP-TUACAJSNSA-N 2 1 481.689 3.246 20 0 JGADMP Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857964 1067907634 /nfs/dbraw/zinc/90/76/34/1067907634.db2.gz DQCDXVMHXZRGNN-IMSXRSKXSA-N 2 1 454.663 3.199 20 0 JGADMP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304858899 1067908886 /nfs/dbraw/zinc/90/88/86/1067908886.db2.gz BQPYMBNTSCXDIS-ZLNRFVROSA-N 2 1 453.679 3.102 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303408222 1067935276 /nfs/dbraw/zinc/93/52/76/1067935276.db2.gz PUPKKMGPKCSMGN-IRLDBZIGSA-N 2 1 479.629 3.023 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303408222 1067935281 /nfs/dbraw/zinc/93/52/81/1067935281.db2.gz PUPKKMGPKCSMGN-IRLDBZIGSA-N 2 1 479.629 3.023 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001303410318 1067936573 /nfs/dbraw/zinc/93/65/73/1067936573.db2.gz SUGLAMZSVUNIFA-NRFANRHFSA-N 2 1 487.718 3.455 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303410318 1067936577 /nfs/dbraw/zinc/93/65/77/1067936577.db2.gz SUGLAMZSVUNIFA-NRFANRHFSA-N 2 1 487.718 3.455 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304924807 1067967758 /nfs/dbraw/zinc/96/77/58/1067967758.db2.gz KTHPKJXPEUADSX-DHIUTWEWSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303462381 1067981406 /nfs/dbraw/zinc/98/14/06/1067981406.db2.gz AVYLDTMEOYZMTH-OAQYLSRUSA-N 2 1 459.683 3.136 20 0 JGADMP C[C@@H]1CCC[C@@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989269 1068031744 /nfs/dbraw/zinc/03/17/44/1068031744.db2.gz RKSRBAGUKMCWAB-AJTFRIOCSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@@H]1CCC[C@@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989269 1068031759 /nfs/dbraw/zinc/03/17/59/1068031759.db2.gz RKSRBAGUKMCWAB-AJTFRIOCSA-N 2 1 483.705 3.321 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001303570595 1068094332 /nfs/dbraw/zinc/09/43/32/1068094332.db2.gz UQMIKOVFFTXYMY-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP C[C@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001305061016 1068126431 /nfs/dbraw/zinc/12/64/31/1068126431.db2.gz XLMRGPGZOFAHHV-JTHBVZDNSA-N 2 1 454.663 3.207 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063642 1068133287 /nfs/dbraw/zinc/13/32/87/1068133287.db2.gz ILNIRAOHGDVEMD-QHCPKHFHSA-N 2 1 481.689 3.249 20 0 JGADMP CC1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001305102153 1068167925 /nfs/dbraw/zinc/16/79/25/1068167925.db2.gz ODMWKYAFIOFXQY-UHFFFAOYSA-N 2 1 457.667 3.332 20 0 JGADMP CC1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001305102153 1068167929 /nfs/dbraw/zinc/16/79/29/1068167929.db2.gz ODMWKYAFIOFXQY-UHFFFAOYSA-N 2 1 457.667 3.332 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001305110085 1068180787 /nfs/dbraw/zinc/18/07/87/1068180787.db2.gz VWJCOUJZGQIINJ-QFIPXVFZSA-N 2 1 454.667 3.414 20 0 JGADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC001303705949 1068249923 /nfs/dbraw/zinc/24/99/23/1068249923.db2.gz PUPQMGFBIBDNLH-VIZSFHNOSA-N 2 1 450.635 3.118 20 0 JGADMP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001303743908 1068303445 /nfs/dbraw/zinc/30/34/45/1068303445.db2.gz GFDZEAHNZKPCIR-NRFANRHFSA-N 2 1 482.677 3.214 20 0 JGADMP CC(C)[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001303743910 1068303580 /nfs/dbraw/zinc/30/35/80/1068303580.db2.gz GFDZEAHNZKPCIR-OAQYLSRUSA-N 2 1 482.677 3.214 20 0 JGADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219156 1068356541 /nfs/dbraw/zinc/35/65/41/1068356541.db2.gz AYZLUMCNALMCQG-SJLPKXTDSA-N 2 1 495.441 3.098 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305400188 1068642738 /nfs/dbraw/zinc/64/27/38/1068642738.db2.gz WLVDPJSSUWSPKZ-SLFFLAALSA-N 2 1 452.713 3.164 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001305400188 1068642741 /nfs/dbraw/zinc/64/27/41/1068642741.db2.gz WLVDPJSSUWSPKZ-SLFFLAALSA-N 2 1 452.713 3.164 20 0 JGADMP 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 1068647990 /nfs/dbraw/zinc/64/79/90/1068647990.db2.gz AQIOCTIXQHDYTK-HIGZBPRKSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305408885 1068647997 /nfs/dbraw/zinc/64/79/97/1068647997.db2.gz AQIOCTIXQHDYTK-HIGZBPRKSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305408885 1068648002 /nfs/dbraw/zinc/64/80/02/1068648002.db2.gz AQIOCTIXQHDYTK-HIGZBPRKSA-N 2 1 473.710 3.045 20 0 JGADMP 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 1068648071 /nfs/dbraw/zinc/64/80/71/1068648071.db2.gz AQIOCTIXQHDYTK-ZQRMPTRQSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305408892 1068648076 /nfs/dbraw/zinc/64/80/76/1068648076.db2.gz AQIOCTIXQHDYTK-ZQRMPTRQSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305408892 1068648082 /nfs/dbraw/zinc/64/80/82/1068648082.db2.gz AQIOCTIXQHDYTK-ZQRMPTRQSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305509524 1068748619 /nfs/dbraw/zinc/74/86/19/1068748619.db2.gz MHABCPMNCZUCCW-QFIPXVFZSA-N 2 1 454.663 3.351 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305532131 1068789036 /nfs/dbraw/zinc/78/90/36/1068789036.db2.gz ZERQYDHLBFNJCR-ZCYQVOJMSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@H+](C)C(C)C ZINC001305541552 1068812803 /nfs/dbraw/zinc/81/28/03/1068812803.db2.gz NYHFYSZAKHXYPG-FQEVSTJZSA-N 2 1 456.635 3.225 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@@H+](C)C(C)C ZINC001305541552 1068812818 /nfs/dbraw/zinc/81/28/18/1068812818.db2.gz NYHFYSZAKHXYPG-FQEVSTJZSA-N 2 1 456.635 3.225 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541660 1068812954 /nfs/dbraw/zinc/81/29/54/1068812954.db2.gz YUFXWUXQINNWMJ-GOTSBHOMSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305544314 1068819961 /nfs/dbraw/zinc/81/99/61/1068819961.db2.gz OHTURCIYSVVYHL-QFIPXVFZSA-N 2 1 454.663 3.472 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544444 1068820849 /nfs/dbraw/zinc/82/08/49/1068820849.db2.gz HZMGURYNKADKCB-URXFXBBRSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544446 1068820958 /nfs/dbraw/zinc/82/09/58/1068820958.db2.gz HZMGURYNKADKCB-ZJSXRUAMSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001305604173 1068869125 /nfs/dbraw/zinc/86/91/25/1068869125.db2.gz MKNAHEKXBUDHLM-NNMXDRDESA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001305604173 1068869137 /nfs/dbraw/zinc/86/91/37/1068869137.db2.gz MKNAHEKXBUDHLM-NNMXDRDESA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305604173 1068869149 /nfs/dbraw/zinc/86/91/49/1068869149.db2.gz MKNAHEKXBUDHLM-NNMXDRDESA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001305604168 1068869200 /nfs/dbraw/zinc/86/92/00/1068869200.db2.gz MKNAHEKXBUDHLM-JQVVWYNYSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305604168 1068869211 /nfs/dbraw/zinc/86/92/11/1068869211.db2.gz MKNAHEKXBUDHLM-JQVVWYNYSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305604168 1068869223 /nfs/dbraw/zinc/86/92/23/1068869223.db2.gz MKNAHEKXBUDHLM-JQVVWYNYSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305611894 1068886993 /nfs/dbraw/zinc/88/69/93/1068886993.db2.gz AHEZSSCRTDZTRO-LJQANCHMSA-N 2 1 466.634 3.102 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001305615347 1068892886 /nfs/dbraw/zinc/89/28/86/1068892886.db2.gz PSKPPXUWPIXJAV-BDTNDASRSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001305615347 1068892894 /nfs/dbraw/zinc/89/28/94/1068892894.db2.gz PSKPPXUWPIXJAV-BDTNDASRSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001305615347 1068892899 /nfs/dbraw/zinc/89/28/99/1068892899.db2.gz PSKPPXUWPIXJAV-BDTNDASRSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617094 1068897872 /nfs/dbraw/zinc/89/78/72/1068897872.db2.gz JXVRVJUFXNACFI-REWPJTCUSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617094 1068897878 /nfs/dbraw/zinc/89/78/78/1068897878.db2.gz JXVRVJUFXNACFI-REWPJTCUSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305617094 1068897885 /nfs/dbraw/zinc/89/78/85/1068897885.db2.gz JXVRVJUFXNACFI-REWPJTCUSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305617094 1068897892 /nfs/dbraw/zinc/89/78/92/1068897892.db2.gz JXVRVJUFXNACFI-REWPJTCUSA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305617756 1068899779 /nfs/dbraw/zinc/89/97/79/1068899779.db2.gz ANZHQQXYSQLCKT-LEWJYISDSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305617756 1068899786 /nfs/dbraw/zinc/89/97/86/1068899786.db2.gz ANZHQQXYSQLCKT-LEWJYISDSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305617756 1068899795 /nfs/dbraw/zinc/89/97/95/1068899795.db2.gz ANZHQQXYSQLCKT-LEWJYISDSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305617756 1068899802 /nfs/dbraw/zinc/89/98/02/1068899802.db2.gz ANZHQQXYSQLCKT-LEWJYISDSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305622231 1068910539 /nfs/dbraw/zinc/91/05/39/1068910539.db2.gz OUTKHUQBNPYXHC-KAOXLYBCSA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001305622231 1068910554 /nfs/dbraw/zinc/91/05/54/1068910554.db2.gz OUTKHUQBNPYXHC-KAOXLYBCSA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001305622452 1068910984 /nfs/dbraw/zinc/91/09/84/1068910984.db2.gz RGTIPWGPMOLLQB-VQTJNVASSA-N 2 1 473.691 3.065 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305622241 1068911246 /nfs/dbraw/zinc/91/12/46/1068911246.db2.gz OUTKHUQBNPYXHC-SSGKUCQKSA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305622241 1068911257 /nfs/dbraw/zinc/91/12/57/1068911257.db2.gz OUTKHUQBNPYXHC-SSGKUCQKSA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677066 1069031830 /nfs/dbraw/zinc/03/18/30/1069031830.db2.gz WEAZZNOMIVDKGZ-DQEYMECFSA-N 2 1 495.716 3.293 20 0 JGADMP CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305714188 1069117110 /nfs/dbraw/zinc/11/71/10/1069117110.db2.gz ZKEOWINDPFXQLO-XMMPIXPASA-N 2 1 487.737 3.437 20 0 JGADMP CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305714188 1069117114 /nfs/dbraw/zinc/11/71/14/1069117114.db2.gz ZKEOWINDPFXQLO-XMMPIXPASA-N 2 1 487.737 3.437 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305771562 1069248830 /nfs/dbraw/zinc/24/88/30/1069248830.db2.gz BAMRLGJXYGRMFO-NRFANRHFSA-N 2 1 463.715 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001305772226 1069250526 /nfs/dbraw/zinc/25/05/26/1069250526.db2.gz FZERIZJBFCQKKC-HXUWFJFHSA-N 2 1 461.699 3.239 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001305772226 1069250536 /nfs/dbraw/zinc/25/05/36/1069250536.db2.gz FZERIZJBFCQKKC-HXUWFJFHSA-N 2 1 461.699 3.239 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001305772226 1069250545 /nfs/dbraw/zinc/25/05/45/1069250545.db2.gz FZERIZJBFCQKKC-HXUWFJFHSA-N 2 1 461.699 3.239 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305785165 1069284358 /nfs/dbraw/zinc/28/43/58/1069284358.db2.gz IKJGYHSELGZJGH-JOCHJYFZSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305785639 1069286838 /nfs/dbraw/zinc/28/68/38/1069286838.db2.gz IWZBTAJQCMSTOP-QFIPXVFZSA-N 2 1 495.716 3.421 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164389151 718815046 /nfs/dbraw/zinc/81/50/46/718815046.db2.gz UGEGZIFYFKOZHE-UWJYYQICSA-N 2 1 497.606 3.391 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164389151 718815048 /nfs/dbraw/zinc/81/50/48/718815048.db2.gz UGEGZIFYFKOZHE-UWJYYQICSA-N 2 1 497.606 3.391 20 0 JGADMP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402605 718853709 /nfs/dbraw/zinc/85/37/09/718853709.db2.gz GNWAXBZLHGMTKY-MWTRTKDXSA-N 2 1 455.653 3.424 20 0 JGADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618296 719017365 /nfs/dbraw/zinc/01/73/65/719017365.db2.gz SAHSDGSBCOXKLK-WDSOQIARSA-N 2 1 469.655 3.142 20 0 JGADMP 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 719047001 /nfs/dbraw/zinc/04/70/01/719047001.db2.gz QMKRHLJZACAUTG-OGQCEUPSSA-N 2 1 491.680 3.464 20 0 JGADMP 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 719047052 /nfs/dbraw/zinc/04/70/52/719047052.db2.gz QMKRHLJZACAUTG-JICQUXPRSA-N 2 1 491.680 3.464 20 0 JGADMP C[N@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164669271 719426190 /nfs/dbraw/zinc/42/61/90/719426190.db2.gz LMXLIZNSZWEVNY-FGZHOGPDSA-N 2 1 455.002 3.276 20 0 JGADMP COc1ccc(CN(C)c2cc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164822311 720350132 /nfs/dbraw/zinc/35/01/32/720350132.db2.gz DHLSAXCKYAUJRU-RPWUZVMVSA-N 2 1 478.641 3.033 20 0 JGADMP COc1ccc(CN(C)c2cc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164822307 720350196 /nfs/dbraw/zinc/35/01/96/720350196.db2.gz DHLSAXCKYAUJRU-DNQXCXABSA-N 2 1 478.641 3.033 20 0 JGADMP CCc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164843853 720701579 /nfs/dbraw/zinc/70/15/79/720701579.db2.gz RJVSDTZNDDEYPM-QHCPKHFHSA-N 2 1 451.615 3.136 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740953 720765421 /nfs/dbraw/zinc/76/54/21/720765421.db2.gz LNOZFBQQOOKLCV-RTBURBONSA-N 2 1 467.643 3.282 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740953 720765427 /nfs/dbraw/zinc/76/54/27/720765427.db2.gz LNOZFBQQOOKLCV-RTBURBONSA-N 2 1 467.643 3.282 20 0 JGADMP C[C@@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164850658 720805615 /nfs/dbraw/zinc/80/56/15/720805615.db2.gz VQUHNZSPXHVTRB-LJQANCHMSA-N 2 1 456.594 3.096 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164859336 720876465 /nfs/dbraw/zinc/87/64/65/720876465.db2.gz MTILSOOOFMICNJ-VQTJNVASSA-N 2 1 461.676 3.323 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164859336 720876469 /nfs/dbraw/zinc/87/64/69/720876469.db2.gz MTILSOOOFMICNJ-VQTJNVASSA-N 2 1 461.676 3.323 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754027 720879405 /nfs/dbraw/zinc/87/94/05/720879405.db2.gz QTQUJWFIUYWMSX-ZBLYBZFDSA-N 2 1 490.608 3.285 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754027 720879406 /nfs/dbraw/zinc/87/94/06/720879406.db2.gz QTQUJWFIUYWMSX-ZBLYBZFDSA-N 2 1 490.608 3.285 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754018 720879569 /nfs/dbraw/zinc/87/95/69/720879569.db2.gz QTQUJWFIUYWMSX-JIPXPUAJSA-N 2 1 490.608 3.285 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164754018 720879570 /nfs/dbraw/zinc/87/95/70/720879570.db2.gz QTQUJWFIUYWMSX-JIPXPUAJSA-N 2 1 490.608 3.285 20 0 JGADMP CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755698 720897753 /nfs/dbraw/zinc/89/77/53/720897753.db2.gz MQOFTGZHEAIJST-YWEHKCAJSA-N 2 1 492.668 3.026 20 0 JGADMP CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755698 720897757 /nfs/dbraw/zinc/89/77/57/720897757.db2.gz MQOFTGZHEAIJST-YWEHKCAJSA-N 2 1 492.668 3.026 20 0 JGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749674 720899512 /nfs/dbraw/zinc/89/95/12/720899512.db2.gz ANVTXNYURRQCBT-SQHAQQRYSA-N 2 1 463.626 3.068 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752535 720901893 /nfs/dbraw/zinc/90/18/93/720901893.db2.gz FBCNZGBPJXXPEJ-CUBQBAPOSA-N 3 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164752535 720901906 /nfs/dbraw/zinc/90/19/06/720901906.db2.gz FBCNZGBPJXXPEJ-CUBQBAPOSA-N 2 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164752535 720901918 /nfs/dbraw/zinc/90/19/18/720901918.db2.gz FBCNZGBPJXXPEJ-CUBQBAPOSA-N 2 1 476.669 3.159 20 0 JGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1 ZINC001164879208 721291497 /nfs/dbraw/zinc/29/14/97/721291497.db2.gz XBIVTDDCIULELL-HSZRJFAPSA-N 2 1 457.663 3.026 20 0 JGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001164879208 721291502 /nfs/dbraw/zinc/29/15/02/721291502.db2.gz XBIVTDDCIULELL-HSZRJFAPSA-N 2 1 457.663 3.026 20 0 JGADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001164879208 721291504 /nfs/dbraw/zinc/29/15/04/721291504.db2.gz XBIVTDDCIULELL-HSZRJFAPSA-N 2 1 457.663 3.026 20 0 JGADMP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164952935 721991389 /nfs/dbraw/zinc/99/13/89/721991389.db2.gz RLAXWGKAAQZGEW-KCWPFWIISA-N 2 1 496.677 3.240 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112064 /nfs/dbraw/zinc/11/20/64/722112064.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112067 /nfs/dbraw/zinc/11/20/67/722112067.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112069 /nfs/dbraw/zinc/11/20/69/722112069.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112071 /nfs/dbraw/zinc/11/20/71/722112071.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 2 1 470.621 3.157 20 0 JGADMP C[N@@H+](CCCn1c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298678444 1064468060 /nfs/dbraw/zinc/46/80/60/1064468060.db2.gz BITQPVBEDFFRHK-QHCPKHFHSA-N 2 1 454.663 3.256 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[NH+](C)Cc1ccc(F)cc1 ZINC001298704316 1064507008 /nfs/dbraw/zinc/50/70/08/1064507008.db2.gz NIDGZHSCADWFKN-UHFFFAOYSA-N 2 1 469.609 3.091 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[NH+](C)Cc1ccc(F)cc1 ZINC001298704316 1064507015 /nfs/dbraw/zinc/50/70/15/1064507015.db2.gz NIDGZHSCADWFKN-UHFFFAOYSA-N 2 1 469.609 3.091 20 0 JGADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001298704316 1064507022 /nfs/dbraw/zinc/50/70/22/1064507022.db2.gz NIDGZHSCADWFKN-UHFFFAOYSA-N 2 1 469.609 3.091 20 0 JGADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298704316 1064507036 /nfs/dbraw/zinc/50/70/36/1064507036.db2.gz NIDGZHSCADWFKN-UHFFFAOYSA-N 2 1 469.609 3.091 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298732562 1064547229 /nfs/dbraw/zinc/54/72/29/1064547229.db2.gz AHJAHRKLANEOHW-FCHUYYIVSA-N 2 1 462.683 3.187 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001298732562 1064547243 /nfs/dbraw/zinc/54/72/43/1064547243.db2.gz AHJAHRKLANEOHW-FCHUYYIVSA-N 2 1 462.683 3.187 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001298732825 1064547707 /nfs/dbraw/zinc/54/77/07/1064547707.db2.gz FPXLJDZVCCLBSA-UHFFFAOYSA-N 2 1 488.652 3.419 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(F)cc2)n1CC[NH+]1CCCCCC1 ZINC001298732825 1064547719 /nfs/dbraw/zinc/54/77/19/1064547719.db2.gz FPXLJDZVCCLBSA-UHFFFAOYSA-N 2 1 488.652 3.419 20 0 JGADMP Cn1cc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC001298887981 1064697329 /nfs/dbraw/zinc/69/73/29/1064697329.db2.gz ZDWGFNYHKHJWJK-NRFANRHFSA-N 2 1 456.683 3.357 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001299908734 1065153534 /nfs/dbraw/zinc/15/35/34/1065153534.db2.gz ATEXPGVQHPNUFX-IBGZPJMESA-N 2 1 477.053 3.106 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001299908828 1065154049 /nfs/dbraw/zinc/15/40/49/1065154049.db2.gz DKCUXKWUXKKWBI-UHFFFAOYSA-N 2 1 489.064 3.416 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299989960 1065293215 /nfs/dbraw/zinc/29/32/15/1065293215.db2.gz ATLROMJNWNALCX-UHFFFAOYSA-N 2 1 477.657 3.243 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299989960 1065293231 /nfs/dbraw/zinc/29/32/31/1065293231.db2.gz ATLROMJNWNALCX-UHFFFAOYSA-N 2 1 477.657 3.243 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001492241624 1065340868 /nfs/dbraw/zinc/34/08/68/1065340868.db2.gz YZCCZEDKAKGNTQ-QHCPKHFHSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001492358911 1065420684 /nfs/dbraw/zinc/42/06/84/1065420684.db2.gz FNNHYPXVSVHGBR-QHCPKHFHSA-N 2 1 483.705 3.110 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708027 1066599161 /nfs/dbraw/zinc/59/91/61/1066599161.db2.gz GZFLWUPBRSVHHV-URXFXBBRSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708027 1066599171 /nfs/dbraw/zinc/59/91/71/1066599171.db2.gz GZFLWUPBRSVHHV-URXFXBBRSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708027 1066599183 /nfs/dbraw/zinc/59/91/83/1066599183.db2.gz GZFLWUPBRSVHHV-URXFXBBRSA-N 2 1 473.710 3.045 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001301726086 1066642373 /nfs/dbraw/zinc/64/23/73/1066642373.db2.gz OIPCFNKJOFGWGS-KRWDZBQOSA-N 2 1 497.507 3.412 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301731017 1066650644 /nfs/dbraw/zinc/65/06/44/1066650644.db2.gz IWDBYMYSCNTNAE-PKTZIBPZSA-N 2 1 462.683 3.190 20 0 JGADMP COCC[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301736088 1066658031 /nfs/dbraw/zinc/65/80/31/1066658031.db2.gz HUTQVNFEGXMLJK-NRFANRHFSA-N 2 1 458.676 3.132 20 0 JGADMP COCC[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301736088 1066658037 /nfs/dbraw/zinc/65/80/37/1066658037.db2.gz HUTQVNFEGXMLJK-NRFANRHFSA-N 2 1 458.676 3.132 20 0 JGADMP COCC[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301736088 1066658041 /nfs/dbraw/zinc/65/80/41/1066658041.db2.gz HUTQVNFEGXMLJK-NRFANRHFSA-N 2 1 458.676 3.132 20 0 JGADMP COCC[N@H+](C)CCn1c(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301742096 1066664397 /nfs/dbraw/zinc/66/43/97/1066664397.db2.gz VJXZWCCCNQECEW-HXUWFJFHSA-N 2 1 458.651 3.046 20 0 JGADMP COCC[N@@H+](C)CCn1c(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301742096 1066664401 /nfs/dbraw/zinc/66/44/01/1066664401.db2.gz VJXZWCCCNQECEW-HXUWFJFHSA-N 2 1 458.651 3.046 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302290736 1066869390 /nfs/dbraw/zinc/86/93/90/1066869390.db2.gz SFNJOUXXLBIVOE-FUDKSRODSA-N 2 1 462.683 3.089 20 0 JGADMP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301874097 1066873884 /nfs/dbraw/zinc/87/38/84/1066873884.db2.gz DPZDQBSERWJZPF-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301874097 1066873893 /nfs/dbraw/zinc/87/38/93/1066873893.db2.gz DPZDQBSERWJZPF-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301874097 1066873900 /nfs/dbraw/zinc/87/39/00/1066873900.db2.gz DPZDQBSERWJZPF-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC001301874857 1066875518 /nfs/dbraw/zinc/87/55/18/1066875518.db2.gz QLBKLOAKCWSQCO-QFIPXVFZSA-N 2 1 470.662 3.190 20 0 JGADMP COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301875143 1066876334 /nfs/dbraw/zinc/87/63/34/1066876334.db2.gz RZRODVKNQFHNCK-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301875143 1066876338 /nfs/dbraw/zinc/87/63/38/1066876338.db2.gz RZRODVKNQFHNCK-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301875143 1066876343 /nfs/dbraw/zinc/87/63/43/1066876343.db2.gz RZRODVKNQFHNCK-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301875143 1066876346 /nfs/dbraw/zinc/87/63/46/1066876346.db2.gz RZRODVKNQFHNCK-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301875145 1066876636 /nfs/dbraw/zinc/87/66/36/1066876636.db2.gz RZRODVKNQFHNCK-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301875145 1066876650 /nfs/dbraw/zinc/87/66/50/1066876650.db2.gz RZRODVKNQFHNCK-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301875145 1066876666 /nfs/dbraw/zinc/87/66/66/1066876666.db2.gz RZRODVKNQFHNCK-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301875145 1066876677 /nfs/dbraw/zinc/87/66/77/1066876677.db2.gz RZRODVKNQFHNCK-REWPJTCUSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301876328 1066877403 /nfs/dbraw/zinc/87/74/03/1066877403.db2.gz ZXWBPRNWKOTNGN-QHCPKHFHSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301876328 1066877410 /nfs/dbraw/zinc/87/74/10/1066877410.db2.gz ZXWBPRNWKOTNGN-QHCPKHFHSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001301887016 1066899185 /nfs/dbraw/zinc/89/91/85/1066899185.db2.gz FYSDCMNKRURJNC-HZPDHXFCSA-N 2 1 455.434 3.359 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301887317 1066900710 /nfs/dbraw/zinc/90/07/10/1066900710.db2.gz IWAWGEYQUSRGQQ-JOCHJYFZSA-N 2 1 484.048 3.373 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001302309001 1066901049 /nfs/dbraw/zinc/90/10/49/1066901049.db2.gz QMRHAQFNBQNCTM-VJBWXMMDSA-N 2 1 462.683 3.187 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001301891494 1066911392 /nfs/dbraw/zinc/91/13/92/1066911392.db2.gz ORECPYJWEJZGDV-OAQYLSRUSA-N 2 1 470.643 3.087 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301891885 1066912811 /nfs/dbraw/zinc/91/28/11/1066912811.db2.gz RQKQHWNJSXEJER-FGZHOGPDSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001301896436 1066919207 /nfs/dbraw/zinc/91/92/07/1066919207.db2.gz JVFGKMCPIOFSOB-IRLDBZIGSA-N 2 1 452.603 3.306 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001301896967 1066920675 /nfs/dbraw/zinc/92/06/75/1066920675.db2.gz SDLLITCEPYKSSW-UHFFFAOYSA-N 2 1 491.478 3.208 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301897256 1066921160 /nfs/dbraw/zinc/92/11/60/1066921160.db2.gz VJLVFDSGCXWLSR-NRFANRHFSA-N 2 1 458.626 3.221 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301897256 1066921170 /nfs/dbraw/zinc/92/11/70/1066921170.db2.gz VJLVFDSGCXWLSR-NRFANRHFSA-N 2 1 458.626 3.221 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909370 1066932910 /nfs/dbraw/zinc/93/29/10/1066932910.db2.gz AHUYDQBKLTZLBQ-WMZHIEFXSA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909370 1066932914 /nfs/dbraw/zinc/93/29/14/1066932914.db2.gz AHUYDQBKLTZLBQ-WMZHIEFXSA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909370 1066932919 /nfs/dbraw/zinc/93/29/19/1066932919.db2.gz AHUYDQBKLTZLBQ-WMZHIEFXSA-N 2 1 490.643 3.424 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301918447 1066949007 /nfs/dbraw/zinc/94/90/07/1066949007.db2.gz CEKAARVMSAYAFS-ILBGXUMGSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301919212 1066951144 /nfs/dbraw/zinc/95/11/44/1066951144.db2.gz GNNRIWLGDWJMPR-QFQXNSOFSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301921253 1066954489 /nfs/dbraw/zinc/95/44/89/1066954489.db2.gz RXUBCMMHMSCKPV-VXKWHMMOSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301927000 1066960562 /nfs/dbraw/zinc/96/05/62/1066960562.db2.gz RSHFHUFUBQVVCC-VWNXMTODSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301927000 1066960569 /nfs/dbraw/zinc/96/05/69/1066960569.db2.gz RSHFHUFUBQVVCC-VWNXMTODSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301927000 1066960577 /nfs/dbraw/zinc/96/05/77/1066960577.db2.gz RSHFHUFUBQVVCC-VWNXMTODSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301927572 1066963093 /nfs/dbraw/zinc/96/30/93/1066963093.db2.gz JRMDIYGHJIPHQE-DHIUTWEWSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301927572 1066963103 /nfs/dbraw/zinc/96/31/03/1066963103.db2.gz JRMDIYGHJIPHQE-DHIUTWEWSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301927572 1066963115 /nfs/dbraw/zinc/96/31/15/1066963115.db2.gz JRMDIYGHJIPHQE-DHIUTWEWSA-N 2 1 470.662 3.054 20 0 JGADMP CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001302525606 1067148636 /nfs/dbraw/zinc/14/86/36/1067148636.db2.gz ONGLUGQWTMSKSO-XMMPIXPASA-N 2 1 472.653 3.285 20 0 JGADMP CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001302525606 1067148638 /nfs/dbraw/zinc/14/86/38/1067148638.db2.gz ONGLUGQWTMSKSO-XMMPIXPASA-N 2 1 472.653 3.285 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001304139894 1067180503 /nfs/dbraw/zinc/18/05/03/1067180503.db2.gz PIXOCCMJFZJHHH-ZVDOUQERSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001304139894 1067180505 /nfs/dbraw/zinc/18/05/05/1067180505.db2.gz PIXOCCMJFZJHHH-ZVDOUQERSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001304175576 1067224211 /nfs/dbraw/zinc/22/42/11/1067224211.db2.gz VIPCOWOTIXJVAH-UHFFFAOYSA-N 2 1 484.689 3.363 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001302593272 1067231708 /nfs/dbraw/zinc/23/17/08/1067231708.db2.gz MAPWBLAZTIPELW-XMMPIXPASA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001302593272 1067231712 /nfs/dbraw/zinc/23/17/12/1067231712.db2.gz MAPWBLAZTIPELW-XMMPIXPASA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302593272 1067231715 /nfs/dbraw/zinc/23/17/15/1067231715.db2.gz MAPWBLAZTIPELW-XMMPIXPASA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302593272 1067231718 /nfs/dbraw/zinc/23/17/18/1067231718.db2.gz MAPWBLAZTIPELW-XMMPIXPASA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302664389 1067291561 /nfs/dbraw/zinc/29/15/61/1067291561.db2.gz IZBCYUPMUBTDRM-QHCPKHFHSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302664389 1067291570 /nfs/dbraw/zinc/29/15/70/1067291570.db2.gz IZBCYUPMUBTDRM-QHCPKHFHSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001302664389 1067291581 /nfs/dbraw/zinc/29/15/81/1067291581.db2.gz IZBCYUPMUBTDRM-QHCPKHFHSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001302664389 1067291593 /nfs/dbraw/zinc/29/15/93/1067291593.db2.gz IZBCYUPMUBTDRM-QHCPKHFHSA-N 2 1 481.689 3.057 20 0 JGADMP Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)o1 ZINC001304324716 1067373289 /nfs/dbraw/zinc/37/32/89/1067373289.db2.gz QWHNHAWPKVBGBG-SFHVURJKSA-N 2 1 484.567 3.422 20 0 JGADMP CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](C)C ZINC001302805117 1067393101 /nfs/dbraw/zinc/39/31/01/1067393101.db2.gz WPXRBHJNDFXSGA-QFIPXVFZSA-N 2 1 484.693 3.309 20 0 JGADMP CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001302808848 1067396861 /nfs/dbraw/zinc/39/68/61/1067396861.db2.gz ROVAHCBWQLXKKJ-IAGOWNOFSA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001302808848 1067396872 /nfs/dbraw/zinc/39/68/72/1067396872.db2.gz ROVAHCBWQLXKKJ-IAGOWNOFSA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001302818116 1067405731 /nfs/dbraw/zinc/40/57/31/1067405731.db2.gz HFBSUJLFSVFHME-TUACAJSNSA-N 2 1 472.653 3.141 20 0 JGADMP CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001302818561 1067406099 /nfs/dbraw/zinc/40/60/99/1067406099.db2.gz NHEGLJOWRIGUNQ-OAQYLSRUSA-N 2 1 494.688 3.089 20 0 JGADMP CC(C)C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001302821027 1067409305 /nfs/dbraw/zinc/40/93/05/1067409305.db2.gz TVATUONUBMTBAJ-LEWJYISDSA-N 2 1 490.643 3.282 20 0 JGADMP CC(C)Cc1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001302835059 1067422508 /nfs/dbraw/zinc/42/25/08/1067422508.db2.gz GMQMIRGKEIJBHB-UHFFFAOYSA-N 2 1 454.663 3.300 20 0 JGADMP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001302899355 1067481545 /nfs/dbraw/zinc/48/15/45/1067481545.db2.gz IPGNPVGNFUJUES-VWLOTQADSA-N 2 1 485.696 3.352 20 0 JGADMP C[C@@H]1C[N@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CC=CCC3)CC2)C[C@H](C)O1 ZINC001302902155 1067486406 /nfs/dbraw/zinc/48/64/06/1067486406.db2.gz WNGKSWVPXOZPPD-SZPZYZBQSA-N 2 1 458.695 3.454 20 0 JGADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CC=CCC3)CC2)C[C@H](C)O1 ZINC001302902155 1067486410 /nfs/dbraw/zinc/48/64/10/1067486410.db2.gz WNGKSWVPXOZPPD-SZPZYZBQSA-N 2 1 458.695 3.454 20 0 JGADMP C[C@@H]1C[NH+](CC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CC=CCC3)CC2)C[C@H](C)O1 ZINC001302902155 1067486414 /nfs/dbraw/zinc/48/64/14/1067486414.db2.gz WNGKSWVPXOZPPD-SZPZYZBQSA-N 2 1 458.695 3.454 20 0 JGADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001302902382 1067487484 /nfs/dbraw/zinc/48/74/84/1067487484.db2.gz GTRXYLYAIZRYIS-NRFANRHFSA-N 2 1 484.689 3.254 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302907001 1067491854 /nfs/dbraw/zinc/49/18/54/1067491854.db2.gz DNNAPVNDSLYRGO-KAOXLYBCSA-N 2 1 476.710 3.228 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302907001 1067491858 /nfs/dbraw/zinc/49/18/58/1067491858.db2.gz DNNAPVNDSLYRGO-KAOXLYBCSA-N 2 1 476.710 3.228 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001302948574 1067522022 /nfs/dbraw/zinc/52/20/22/1067522022.db2.gz XQSFRTVSUKFIDG-HSZRJFAPSA-N 2 1 454.663 3.012 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001302954929 1067526739 /nfs/dbraw/zinc/52/67/39/1067526739.db2.gz VHPOPKNLTQJVCE-VHYCJAOWSA-N 2 1 487.737 3.120 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302954928 1067526853 /nfs/dbraw/zinc/52/68/53/1067526853.db2.gz VHPOPKNLTQJVCE-KXTRFFEISA-N 2 1 487.737 3.120 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001302962044 1067533096 /nfs/dbraw/zinc/53/30/96/1067533096.db2.gz TVCICVXHBROHOZ-UHFFFAOYSA-N 2 1 472.653 3.173 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304460127 1067539487 /nfs/dbraw/zinc/53/94/87/1067539487.db2.gz QEXNWEYOWWAPBC-SZPZYZBQSA-N 2 1 469.678 3.316 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001304460127 1067539490 /nfs/dbraw/zinc/53/94/90/1067539490.db2.gz QEXNWEYOWWAPBC-SZPZYZBQSA-N 2 1 469.678 3.316 20 0 JGADMP Cc1cccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464099 1067542209 /nfs/dbraw/zinc/54/22/09/1067542209.db2.gz JAKPATVYWJJIRF-URXFXBBRSA-N 2 1 469.678 3.314 20 0 JGADMP Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC001304497012 1067572818 /nfs/dbraw/zinc/57/28/18/1067572818.db2.gz AKYHVUJODMXPDO-UHFFFAOYSA-N 2 1 467.706 3.133 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001304551003 1067620349 /nfs/dbraw/zinc/62/03/49/1067620349.db2.gz MOEGZHUTYUMOLW-AREMUKBSSA-N 2 1 454.663 3.209 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC[N@H+](C)C(C)C ZINC001304551003 1067620355 /nfs/dbraw/zinc/62/03/55/1067620355.db2.gz MOEGZHUTYUMOLW-AREMUKBSSA-N 2 1 454.663 3.209 20 0 JGADMP CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001303178503 1067711397 /nfs/dbraw/zinc/71/13/97/1067711397.db2.gz MBPPOCRZRIAMFP-QHCPKHFHSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001303178503 1067711404 /nfs/dbraw/zinc/71/14/04/1067711404.db2.gz MBPPOCRZRIAMFP-QHCPKHFHSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[NH+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303178503 1067711409 /nfs/dbraw/zinc/71/14/09/1067711409.db2.gz MBPPOCRZRIAMFP-QHCPKHFHSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[NH+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303178503 1067711414 /nfs/dbraw/zinc/71/14/14/1067711414.db2.gz MBPPOCRZRIAMFP-QHCPKHFHSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001303178440 1067711528 /nfs/dbraw/zinc/71/15/28/1067711528.db2.gz OBEGNYKLAXTJEI-UHFFFAOYSA-N 2 1 469.678 3.083 20 0 JGADMP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001303178502 1067711626 /nfs/dbraw/zinc/71/16/26/1067711626.db2.gz MBPPOCRZRIAMFP-HSZRJFAPSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001303178502 1067711633 /nfs/dbraw/zinc/71/16/33/1067711633.db2.gz MBPPOCRZRIAMFP-HSZRJFAPSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001303178502 1067711642 /nfs/dbraw/zinc/71/16/42/1067711642.db2.gz MBPPOCRZRIAMFP-HSZRJFAPSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001303178502 1067711647 /nfs/dbraw/zinc/71/16/47/1067711647.db2.gz MBPPOCRZRIAMFP-HSZRJFAPSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001303183148 1067715880 /nfs/dbraw/zinc/71/58/80/1067715880.db2.gz IECSWSNNHXASLL-UHFFFAOYSA-N 2 1 465.017 3.238 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)cs1 ZINC001304656045 1067724194 /nfs/dbraw/zinc/72/41/94/1067724194.db2.gz FLJUNFUDKGETOD-VQTJNVASSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)cs1 ZINC001304656045 1067724200 /nfs/dbraw/zinc/72/42/00/1067724200.db2.gz FLJUNFUDKGETOD-VQTJNVASSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001304656045 1067724209 /nfs/dbraw/zinc/72/42/09/1067724209.db2.gz FLJUNFUDKGETOD-VQTJNVASSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001304656045 1067724215 /nfs/dbraw/zinc/72/42/15/1067724215.db2.gz FLJUNFUDKGETOD-VQTJNVASSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC001304667738 1067735982 /nfs/dbraw/zinc/73/59/82/1067735982.db2.gz GRZLRBITGUTHHF-QFIPXVFZSA-N 2 1 489.734 3.181 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC[C@H]2CO)cs1 ZINC001304667738 1067735987 /nfs/dbraw/zinc/73/59/87/1067735987.db2.gz GRZLRBITGUTHHF-QFIPXVFZSA-N 2 1 489.734 3.181 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC[C@H]2CO)cs1 ZINC001304667738 1067735993 /nfs/dbraw/zinc/73/59/93/1067735993.db2.gz GRZLRBITGUTHHF-QFIPXVFZSA-N 2 1 489.734 3.181 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001304674572 1067744902 /nfs/dbraw/zinc/74/49/02/1067744902.db2.gz RUHMNPJRSJYXEI-JOCHJYFZSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001304674572 1067744907 /nfs/dbraw/zinc/74/49/07/1067744907.db2.gz RUHMNPJRSJYXEI-JOCHJYFZSA-N 2 1 489.734 3.301 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001303266212 1067793191 /nfs/dbraw/zinc/79/31/91/1067793191.db2.gz NXEJSPCKAOXHBT-DEOSSOPVSA-N 2 1 454.663 3.267 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001303268777 1067797086 /nfs/dbraw/zinc/79/70/86/1067797086.db2.gz MJGJZAZRTQCMAD-WMZOPIPTSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303268777 1067797092 /nfs/dbraw/zinc/79/70/92/1067797092.db2.gz MJGJZAZRTQCMAD-WMZOPIPTSA-N 2 1 464.456 3.059 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303268777 1067797098 /nfs/dbraw/zinc/79/70/98/1067797098.db2.gz MJGJZAZRTQCMAD-WMZOPIPTSA-N 2 1 464.456 3.059 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001304725527 1067797529 /nfs/dbraw/zinc/79/75/29/1067797529.db2.gz DLXGDSLNLKOMBU-MRXNPFEDSA-N 2 1 489.043 3.360 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001303295343 1067819057 /nfs/dbraw/zinc/81/90/57/1067819057.db2.gz BVKBNFDBJIBXJX-NRFANRHFSA-N 2 1 455.651 3.148 20 0 JGADMP CC(C)[NH+](CCn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001303295808 1067819662 /nfs/dbraw/zinc/81/96/62/1067819662.db2.gz IFPCYDZHIOEFKA-NRFANRHFSA-N 2 1 457.667 3.092 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303310381 1067838030 /nfs/dbraw/zinc/83/80/30/1067838030.db2.gz GULJMJBTQSLDPP-MRXNPFEDSA-N 2 1 464.456 3.059 20 0 JGADMP 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 1067839518 /nfs/dbraw/zinc/83/95/18/1067839518.db2.gz LOMKURQNZCNZAT-FDFHNCONSA-N 2 1 489.709 3.454 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001303310775 1067839531 /nfs/dbraw/zinc/83/95/31/1067839531.db2.gz LOMKURQNZCNZAT-FDFHNCONSA-N 2 1 489.709 3.454 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001303310775 1067839541 /nfs/dbraw/zinc/83/95/41/1067839541.db2.gz LOMKURQNZCNZAT-FDFHNCONSA-N 2 1 489.709 3.454 20 0 JGADMP 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 1067843563 /nfs/dbraw/zinc/84/35/63/1067843563.db2.gz GPFDXQQCEZSHDO-FGZHOGPDSA-N 2 1 459.727 3.301 20 0 JGADMP 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 1067843932 /nfs/dbraw/zinc/84/39/32/1067843932.db2.gz GPFDXQQCEZSHDO-VXKWHMMOSA-N 2 1 459.727 3.301 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329217 1067857259 /nfs/dbraw/zinc/85/72/59/1067857259.db2.gz YBYXVDLSWFGUDC-GMAHTHKFSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001303329217 1067857269 /nfs/dbraw/zinc/85/72/69/1067857269.db2.gz YBYXVDLSWFGUDC-GMAHTHKFSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001303329217 1067857282 /nfs/dbraw/zinc/85/72/82/1067857282.db2.gz YBYXVDLSWFGUDC-GMAHTHKFSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329218 1067857301 /nfs/dbraw/zinc/85/73/01/1067857301.db2.gz YBYXVDLSWFGUDC-JTHBVZDNSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001303329218 1067857309 /nfs/dbraw/zinc/85/73/09/1067857309.db2.gz YBYXVDLSWFGUDC-JTHBVZDNSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001303329218 1067857318 /nfs/dbraw/zinc/85/73/18/1067857318.db2.gz YBYXVDLSWFGUDC-JTHBVZDNSA-N 2 1 469.678 3.246 20 0 JGADMP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304858551 1067908398 /nfs/dbraw/zinc/90/83/98/1067908398.db2.gz AXLCZEKPPCJPEF-KDURUIRLSA-N 2 1 474.616 3.434 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001303408371 1067935386 /nfs/dbraw/zinc/93/53/86/1067935386.db2.gz VBTLXCKCZYILFK-OAQYLSRUSA-N 2 1 467.662 3.001 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001304916142 1067959778 /nfs/dbraw/zinc/95/97/78/1067959778.db2.gz DTQFJRJUIWZTRO-DNQXCXABSA-N 2 1 467.706 3.465 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304925195 1067968549 /nfs/dbraw/zinc/96/85/49/1067968549.db2.gz LGOLRTJTQMINEK-VXNXHJTFSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304925195 1067968557 /nfs/dbraw/zinc/96/85/57/1067968557.db2.gz LGOLRTJTQMINEK-VXNXHJTFSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304925195 1067968565 /nfs/dbraw/zinc/96/85/65/1067968565.db2.gz LGOLRTJTQMINEK-VXNXHJTFSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304925195 1067968569 /nfs/dbraw/zinc/96/85/69/1067968569.db2.gz LGOLRTJTQMINEK-VXNXHJTFSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304929674 1067978434 /nfs/dbraw/zinc/97/84/34/1067978434.db2.gz XYHKCJYJMRPRMJ-ZLNRFVROSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304929674 1067978439 /nfs/dbraw/zinc/97/84/39/1067978439.db2.gz XYHKCJYJMRPRMJ-ZLNRFVROSA-N 2 1 476.710 3.435 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303462361 1067981361 /nfs/dbraw/zinc/98/13/61/1067981361.db2.gz ABYATZVWKQKHGR-OAHLLOKOSA-N 2 1 464.456 3.485 20 0 JGADMP C[C@@H]1CCC[C@@](Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC001304981998 1068022630 /nfs/dbraw/zinc/02/26/30/1068022630.db2.gz CSANTOSVOFDORW-ZUVQJFRASA-N 2 1 471.694 3.340 20 0 JGADMP C[C@@H]1CCC[C@@](Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)([NH+](C)C)C1 ZINC001304981998 1068022647 /nfs/dbraw/zinc/02/26/47/1068022647.db2.gz CSANTOSVOFDORW-ZUVQJFRASA-N 2 1 471.694 3.340 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504036 1068036424 /nfs/dbraw/zinc/03/64/24/1068036424.db2.gz UCIRKNBCVAUQJX-YIXXDRMTSA-N 2 1 484.689 3.370 20 0 JGADMP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028723 1068086443 /nfs/dbraw/zinc/08/64/43/1068086443.db2.gz JDZUWKXCWPVEQS-FGZHOGPDSA-N 2 1 473.710 3.079 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305043553 1068099672 /nfs/dbraw/zinc/09/96/72/1068099672.db2.gz SJCOIGLKGQFRFM-QFIPXVFZSA-N 2 1 473.710 3.383 20 0 JGADMP C[C@H]1CCC[N@@H+](CCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001305050145 1068111857 /nfs/dbraw/zinc/11/18/57/1068111857.db2.gz SNCJQAOKVFMHNI-GMAHTHKFSA-N 2 1 454.663 3.163 20 0 JGADMP C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC001305064464 1068135660 /nfs/dbraw/zinc/13/56/60/1068135660.db2.gz DJFSSODTKVZXBM-HSZRJFAPSA-N 2 1 483.705 3.179 20 0 JGADMP 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 1068192575 /nfs/dbraw/zinc/19/25/75/1068192575.db2.gz ZHTZDBVBAJLCTO-NJYVYQBISA-N 2 1 476.710 3.153 20 0 JGADMP 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 ZINC001305114522 1068192578 /nfs/dbraw/zinc/19/25/78/1068192578.db2.gz ZHTZDBVBAJLCTO-NJYVYQBISA-N 2 1 476.710 3.153 20 0 JGADMP 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 ZINC001305114522 1068192584 /nfs/dbraw/zinc/19/25/84/1068192584.db2.gz ZHTZDBVBAJLCTO-NJYVYQBISA-N 2 1 476.710 3.153 20 0 JGADMP C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001305151300 1068257431 /nfs/dbraw/zinc/25/74/31/1068257431.db2.gz DWACPIOZKIEONS-IBGZPJMESA-N 2 1 461.054 3.487 20 0 JGADMP 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 1068278771 /nfs/dbraw/zinc/27/87/71/1068278771.db2.gz DLPSHEWPDIIYRT-FDFHNCONSA-N 2 1 459.727 3.344 20 0 JGADMP C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1)[NH+](C)C ZINC001303733516 1068289631 /nfs/dbraw/zinc/28/96/31/1068289631.db2.gz XIBBYQVAQAPSMZ-FQEVSTJZSA-N 2 1 454.644 3.082 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303753300 1068314785 /nfs/dbraw/zinc/31/47/85/1068314785.db2.gz WAVJUTZDUIQMNJ-FQEVSTJZSA-N 2 1 487.718 3.312 20 0 JGADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219154 1068356436 /nfs/dbraw/zinc/35/64/36/1068356436.db2.gz AYZLUMCNALMCQG-AEFFLSMTSA-N 2 1 495.441 3.098 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305378468 1068631022 /nfs/dbraw/zinc/63/10/22/1068631022.db2.gz WHUOHAWRVPPCHU-CVDCTZTESA-N 2 1 452.713 3.024 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305412983 1068651378 /nfs/dbraw/zinc/65/13/78/1068651378.db2.gz SBGAMXSJVJOJMI-BLKABHOGSA-N 2 1 487.718 3.145 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305413046 1068651953 /nfs/dbraw/zinc/65/19/53/1068651953.db2.gz JMJRGYJJOQNTMT-YZUZCNPQSA-N 2 1 454.663 3.449 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413046 1068651955 /nfs/dbraw/zinc/65/19/55/1068651955.db2.gz JMJRGYJJOQNTMT-YZUZCNPQSA-N 2 1 454.663 3.449 20 0 JGADMP 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 1068652605 /nfs/dbraw/zinc/65/26/05/1068652605.db2.gz ZNGBADAQVOBCPA-FVEXOFTDSA-N 2 1 487.737 3.293 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455608 1068694568 /nfs/dbraw/zinc/69/45/68/1068694568.db2.gz CTWFPUIWUKZUAA-VWNXMTODSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455608 1068694570 /nfs/dbraw/zinc/69/45/70/1068694570.db2.gz CTWFPUIWUKZUAA-VWNXMTODSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455608 1068694576 /nfs/dbraw/zinc/69/45/76/1068694576.db2.gz CTWFPUIWUKZUAA-VWNXMTODSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305456491 1068695875 /nfs/dbraw/zinc/69/58/75/1068695875.db2.gz FOEDTSQAHKAXQV-XWGVYQGASA-N 2 1 453.679 3.311 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305504012 1068739146 /nfs/dbraw/zinc/73/91/46/1068739146.db2.gz GZOIHIRHJWPQLO-VWNXMTODSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305504012 1068739156 /nfs/dbraw/zinc/73/91/56/1068739156.db2.gz GZOIHIRHJWPQLO-VWNXMTODSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001305512491 1068754791 /nfs/dbraw/zinc/75/47/91/1068754791.db2.gz XVOUTTIGSLHOBV-DHIUTWEWSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305512491 1068754800 /nfs/dbraw/zinc/75/48/00/1068754800.db2.gz XVOUTTIGSLHOBV-DHIUTWEWSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@H]1CC ZINC001305512491 1068754810 /nfs/dbraw/zinc/75/48/10/1068754810.db2.gz XVOUTTIGSLHOBV-DHIUTWEWSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@H]1CC ZINC001305512491 1068754819 /nfs/dbraw/zinc/75/48/19/1068754819.db2.gz XVOUTTIGSLHOBV-DHIUTWEWSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305540804 1068810063 /nfs/dbraw/zinc/81/00/63/1068810063.db2.gz LMXAPVCBSNWGLM-CQOQZXRMSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001305540804 1068810070 /nfs/dbraw/zinc/81/00/70/1068810070.db2.gz LMXAPVCBSNWGLM-CQOQZXRMSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001305540804 1068810074 /nfs/dbraw/zinc/81/00/74/1068810074.db2.gz LMXAPVCBSNWGLM-CQOQZXRMSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305606816 1068874719 /nfs/dbraw/zinc/87/47/19/1068874719.db2.gz WCCKXTGWDNRPDC-MOPGFXCFSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001305606816 1068874722 /nfs/dbraw/zinc/87/47/22/1068874722.db2.gz WCCKXTGWDNRPDC-MOPGFXCFSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305606816 1068874729 /nfs/dbraw/zinc/87/47/29/1068874729.db2.gz WCCKXTGWDNRPDC-MOPGFXCFSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609211 1068880992 /nfs/dbraw/zinc/88/09/92/1068880992.db2.gz SAEYSRSRYHONGA-LADGPHEKSA-N 2 1 483.705 3.289 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001305612192 1068887531 /nfs/dbraw/zinc/88/75/31/1068887531.db2.gz PAVAEVPADRLTKO-FQEVSTJZSA-N 2 1 451.619 3.334 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001305612192 1068887540 /nfs/dbraw/zinc/88/75/40/1068887540.db2.gz PAVAEVPADRLTKO-FQEVSTJZSA-N 2 1 451.619 3.334 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614079 1068890701 /nfs/dbraw/zinc/89/07/01/1068890701.db2.gz JFVLOODTTYFGQZ-OFNKIYASSA-N 2 1 467.662 3.060 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305617785 1068899725 /nfs/dbraw/zinc/89/97/25/1068899725.db2.gz ANZHQQXYSQLCKT-RTWAWAEBSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305617785 1068899732 /nfs/dbraw/zinc/89/97/32/1068899732.db2.gz ANZHQQXYSQLCKT-RTWAWAEBSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305617785 1068899739 /nfs/dbraw/zinc/89/97/39/1068899739.db2.gz ANZHQQXYSQLCKT-RTWAWAEBSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305617785 1068899744 /nfs/dbraw/zinc/89/97/44/1068899744.db2.gz ANZHQQXYSQLCKT-RTWAWAEBSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001305620510 1068905622 /nfs/dbraw/zinc/90/56/22/1068905622.db2.gz WOOUMDIMRSZPKI-XJUOHMSHSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001305620510 1068905628 /nfs/dbraw/zinc/90/56/28/1068905628.db2.gz WOOUMDIMRSZPKI-XJUOHMSHSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001305620511 1068905645 /nfs/dbraw/zinc/90/56/45/1068905645.db2.gz LONOPXSVBKPUCH-VQTJNVASSA-N 2 1 473.691 3.076 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001305620511 1068905651 /nfs/dbraw/zinc/90/56/51/1068905651.db2.gz LONOPXSVBKPUCH-VQTJNVASSA-N 2 1 473.691 3.076 20 0 JGADMP CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC001305705121 1069092857 /nfs/dbraw/zinc/09/28/57/1069092857.db2.gz JDCZDFABYIHQPN-XUZZJYLKSA-N 2 1 476.710 3.228 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305705563 1069094061 /nfs/dbraw/zinc/09/40/61/1069094061.db2.gz KYSDPAJMRRVPKF-LSWJPFSZSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305705563 1069094073 /nfs/dbraw/zinc/09/40/73/1069094073.db2.gz KYSDPAJMRRVPKF-LSWJPFSZSA-N 2 1 488.652 3.444 20 0 JGADMP 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 1069117824 /nfs/dbraw/zinc/11/78/24/1069117824.db2.gz JFNWUDLJAPSTKF-SZBRSHHCSA-N 2 1 476.710 3.358 20 0 JGADMP 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 1069159005 /nfs/dbraw/zinc/15/90/05/1069159005.db2.gz AXXFISWTOBPCJF-BHDDXSALSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001305736660 1069159016 /nfs/dbraw/zinc/15/90/16/1069159016.db2.gz AXXFISWTOBPCJF-BHDDXSALSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001305736660 1069159025 /nfs/dbraw/zinc/15/90/25/1069159025.db2.gz AXXFISWTOBPCJF-BHDDXSALSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001305785637 1069286957 /nfs/dbraw/zinc/28/69/57/1069286957.db2.gz IWZBTAJQCMSTOP-JOCHJYFZSA-N 2 1 495.716 3.421 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CC ZINC001305787943 1069295871 /nfs/dbraw/zinc/29/58/71/1069295871.db2.gz QJXTZEJWZFPLIW-ZJSXRUAMSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CC ZINC001305787943 1069295883 /nfs/dbraw/zinc/29/58/83/1069295883.db2.gz QJXTZEJWZFPLIW-ZJSXRUAMSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CC ZINC001305787943 1069295886 /nfs/dbraw/zinc/29/58/86/1069295886.db2.gz QJXTZEJWZFPLIW-ZJSXRUAMSA-N 2 1 481.689 3.392 20 0 JGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001164416182 718885536 /nfs/dbraw/zinc/88/55/36/718885536.db2.gz SZCBDQFRPKLVQH-UHFFFAOYSA-N 2 1 460.611 3.110 20 0 JGADMP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164416076 718885652 /nfs/dbraw/zinc/88/56/52/718885652.db2.gz RLTWVJJZUAGOTI-UHFFFAOYSA-N 2 1 478.670 3.246 20 0 JGADMP Cc1nc(N2CCCC2)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164681392 719658358 /nfs/dbraw/zinc/65/83/58/719658358.db2.gz NNHBVHZKKTZYHU-JOCHJYFZSA-N 2 1 476.669 3.479 20 0 JGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164714872 720153324 /nfs/dbraw/zinc/15/33/24/720153324.db2.gz ZYQBXSGZSVTRCE-QHCPKHFHSA-N 3 1 465.642 3.457 20 0 JGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164714872 720153329 /nfs/dbraw/zinc/15/33/29/720153329.db2.gz ZYQBXSGZSVTRCE-QHCPKHFHSA-N 2 1 465.642 3.457 20 0 JGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164714872 720153332 /nfs/dbraw/zinc/15/33/32/720153332.db2.gz ZYQBXSGZSVTRCE-QHCPKHFHSA-N 2 1 465.642 3.457 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749336 720832657 /nfs/dbraw/zinc/83/26/57/720832657.db2.gz VPUUAUPPNLQBBJ-SONWIMMPSA-N 2 1 468.609 3.451 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749336 720832662 /nfs/dbraw/zinc/83/26/62/720832662.db2.gz VPUUAUPPNLQBBJ-SONWIMMPSA-N 2 1 468.609 3.451 20 0 JGADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164859122 720875993 /nfs/dbraw/zinc/87/59/93/720875993.db2.gz LQFGNLINYBLDIR-SFTDATJTSA-N 2 1 473.687 3.468 20 0 JGADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164859122 720875997 /nfs/dbraw/zinc/87/59/97/720875997.db2.gz LQFGNLINYBLDIR-SFTDATJTSA-N 2 1 473.687 3.468 20 0 JGADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164855532 720876721 /nfs/dbraw/zinc/87/67/21/720876721.db2.gz HDDLIGMDMCTABJ-FPOVZHCZSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164855532 720876722 /nfs/dbraw/zinc/87/67/22/720876722.db2.gz HDDLIGMDMCTABJ-FPOVZHCZSA-N 2 1 485.698 3.339 20 0 JGADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863850 721034699 /nfs/dbraw/zinc/03/46/99/721034699.db2.gz VBDQQFZZUFDBLY-UHFFFAOYSA-N 2 1 459.932 3.161 20 0 JGADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)C1 ZINC001164872877 721277071 /nfs/dbraw/zinc/27/70/71/721277071.db2.gz HAACQFLUZBDUKH-UHFFFAOYSA-N 2 1 461.610 3.092 20 0 JGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950636 721991309 /nfs/dbraw/zinc/99/13/09/721991309.db2.gz JSEVEXFZRCPSBJ-BGWNEDDSSA-N 2 1 462.660 3.228 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970872 722112417 /nfs/dbraw/zinc/11/24/17/722112417.db2.gz AFMHEMQHVIOLKR-SHQCIBLASA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970872 722112418 /nfs/dbraw/zinc/11/24/18/722112418.db2.gz AFMHEMQHVIOLKR-SHQCIBLASA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970872 722112420 /nfs/dbraw/zinc/11/24/20/722112420.db2.gz AFMHEMQHVIOLKR-SHQCIBLASA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970872 722112424 /nfs/dbraw/zinc/11/24/24/722112424.db2.gz AFMHEMQHVIOLKR-SHQCIBLASA-N 2 1 470.621 3.157 20 0 JGADMP CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)[NH+]1CCCC1 ZINC001305805959 1069333216 /nfs/dbraw/zinc/33/32/16/1069333216.db2.gz ZRVHKMDWJPEORQ-VWNXMTODSA-N 2 1 497.688 3.179 20 0 JGADMP CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)[NH+]1CCCC1 ZINC001305805959 1069333229 /nfs/dbraw/zinc/33/32/29/1069333229.db2.gz ZRVHKMDWJPEORQ-VWNXMTODSA-N 2 1 497.688 3.179 20 0 JGADMP CC[C@H](Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305848995 1069400469 /nfs/dbraw/zinc/40/04/69/1069400469.db2.gz CSOGTCPNXTYWRO-XPWALMASSA-N 2 1 459.727 3.445 20 0 JGADMP C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001298349827 1064213291 /nfs/dbraw/zinc/21/32/91/1064213291.db2.gz DZHYUKKKEICDQF-HHHXNRCGSA-N 2 1 468.690 3.282 20 0 JGADMP C[NH+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001298349827 1064213299 /nfs/dbraw/zinc/21/32/99/1064213299.db2.gz DZHYUKKKEICDQF-HHHXNRCGSA-N 2 1 468.690 3.282 20 0 JGADMP C[NH+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001298349827 1064213308 /nfs/dbraw/zinc/21/33/08/1064213308.db2.gz DZHYUKKKEICDQF-HHHXNRCGSA-N 2 1 468.690 3.282 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[NH+](C)C1CCCCC1 ZINC001298728496 1064541005 /nfs/dbraw/zinc/54/10/05/1064541005.db2.gz UQYNAROTTYZIAF-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[NH+](C)C1CCCCC1 ZINC001298728496 1064541012 /nfs/dbraw/zinc/54/10/12/1064541012.db2.gz UQYNAROTTYZIAF-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@H+](C)C1CCCCC1 ZINC001298728496 1064541023 /nfs/dbraw/zinc/54/10/23/1064541023.db2.gz UQYNAROTTYZIAF-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@@H+](C)C1CCCCC1 ZINC001298728496 1064541036 /nfs/dbraw/zinc/54/10/36/1064541036.db2.gz UQYNAROTTYZIAF-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001298730182 1064545088 /nfs/dbraw/zinc/54/50/88/1064545088.db2.gz VEPYYWWVKMLHGG-UHFFFAOYSA-N 2 1 469.678 3.075 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)CCCCC1 ZINC001298730182 1064545104 /nfs/dbraw/zinc/54/51/04/1064545104.db2.gz VEPYYWWVKMLHGG-UHFFFAOYSA-N 2 1 469.678 3.075 20 0 JGADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001298782028 1064586136 /nfs/dbraw/zinc/58/61/36/1064586136.db2.gz KWQKBTPBTBJWAH-NZQKXSOJSA-N 2 1 456.683 3.215 20 0 JGADMP C[N@H+]1CC[C@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298881943 1064688692 /nfs/dbraw/zinc/68/86/92/1064688692.db2.gz NEJCUJWIWPYQEP-HSZRJFAPSA-N 2 1 479.094 3.211 20 0 JGADMP C[N@H+]1CCN(CCn2c(N3CCC[NH+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706698 /nfs/dbraw/zinc/70/66/98/1064706698.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP C[NH+]1CCN(CCn2c(N3CCC[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706710 /nfs/dbraw/zinc/70/67/10/1064706710.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP C[NH+]1CCN(CCn2c(N3CCC[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706721 /nfs/dbraw/zinc/70/67/21/1064706721.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP CN1CC[N@H+](CCn2c(N3CCC[NH+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706731 /nfs/dbraw/zinc/70/67/31/1064706731.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP CN1CC[N@@H+](CCn2c(N3CCC[NH+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706741 /nfs/dbraw/zinc/70/67/41/1064706741.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP CN1CC[NH+](CCn2c(N3CCC[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706749 /nfs/dbraw/zinc/70/67/49/1064706749.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP CN1CC[NH+](CCn2c(N3CCC[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902553 1064706760 /nfs/dbraw/zinc/70/67/60/1064706760.db2.gz DCIVOCZCYMBVHP-UHFFFAOYSA-N 2 1 467.706 3.314 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCO)c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC001299855105 1065063602 /nfs/dbraw/zinc/06/36/02/1065063602.db2.gz KKYPPEDCMDMRES-OAQYLSRUSA-N 2 1 457.537 3.321 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001299991398 1065295864 /nfs/dbraw/zinc/29/58/64/1065295864.db2.gz VORPWEMEFJGSRE-JOCHJYFZSA-N 2 1 470.662 3.152 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299991398 1065295873 /nfs/dbraw/zinc/29/58/73/1065295873.db2.gz VORPWEMEFJGSRE-JOCHJYFZSA-N 2 1 470.662 3.152 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299991137 1065295915 /nfs/dbraw/zinc/29/59/15/1065295915.db2.gz UAGIYXUXRLZDLN-UHFFFAOYSA-N 2 1 477.657 3.243 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299991137 1065295921 /nfs/dbraw/zinc/29/59/21/1065295921.db2.gz UAGIYXUXRLZDLN-UHFFFAOYSA-N 2 1 477.657 3.243 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302057311 1066454205 /nfs/dbraw/zinc/45/42/05/1066454205.db2.gz YAJXNDODZLLBNB-XPWALMASSA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302057313 1066454303 /nfs/dbraw/zinc/45/43/03/1066454303.db2.gz YAJXNDODZLLBNB-ZLNRFVROSA-N 2 1 462.683 3.187 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301607728 1066455157 /nfs/dbraw/zinc/45/51/57/1066455157.db2.gz PPNIQACELNSXJB-UHFFFAOYSA-N 2 1 453.006 3.236 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301610087 1066456973 /nfs/dbraw/zinc/45/69/73/1066456973.db2.gz MKOOUHMTZWHIHN-UHFFFAOYSA-N 2 1 469.678 3.318 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302065904 1066466332 /nfs/dbraw/zinc/46/63/32/1066466332.db2.gz AALNLGMPALIRRI-FGZHOGPDSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001302065904 1066466334 /nfs/dbraw/zinc/46/63/34/1066466334.db2.gz AALNLGMPALIRRI-FGZHOGPDSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001302065904 1066466338 /nfs/dbraw/zinc/46/63/38/1066466338.db2.gz AALNLGMPALIRRI-FGZHOGPDSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302080414 1066496559 /nfs/dbraw/zinc/49/65/59/1066496559.db2.gz PDJYQYGDQYSXOB-NHCUHLMSSA-N 2 1 450.672 3.043 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093889 1066521806 /nfs/dbraw/zinc/52/18/06/1066521806.db2.gz XRGIEVMEKLHTEK-DNVJHFABSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001302093889 1066521813 /nfs/dbraw/zinc/52/18/13/1066521813.db2.gz XRGIEVMEKLHTEK-DNVJHFABSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001302093889 1066521818 /nfs/dbraw/zinc/52/18/18/1066521818.db2.gz XRGIEVMEKLHTEK-DNVJHFABSA-N 2 1 462.683 3.045 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301706968 1066596943 /nfs/dbraw/zinc/59/69/43/1066596943.db2.gz AAUVPHPPWYSVPM-RCZVLFRGSA-N 2 1 473.710 3.012 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301709046 1066602136 /nfs/dbraw/zinc/60/21/36/1066602136.db2.gz RUKPQQUVXLEWDI-NOZRDPDXSA-N 2 1 487.737 3.122 20 0 JGADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301767835 1066710461 /nfs/dbraw/zinc/71/04/61/1066710461.db2.gz RNOISHARCQQEOA-RCZVLFRGSA-N 2 1 487.737 3.118 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001301874495 1066875693 /nfs/dbraw/zinc/87/56/93/1066875693.db2.gz LLZNNVARJMAKHR-NRFANRHFSA-N 2 1 497.688 3.038 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001301874592 1066875776 /nfs/dbraw/zinc/87/57/76/1066875776.db2.gz JXCYBSCHCHGINJ-PZJWPPBQSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001301874592 1066875778 /nfs/dbraw/zinc/87/57/78/1066875778.db2.gz JXCYBSCHCHGINJ-PZJWPPBQSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301875141 1066876472 /nfs/dbraw/zinc/87/64/72/1066876472.db2.gz RZRODVKNQFHNCK-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301875141 1066876486 /nfs/dbraw/zinc/87/64/86/1066876486.db2.gz RZRODVKNQFHNCK-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301875141 1066876494 /nfs/dbraw/zinc/87/64/94/1066876494.db2.gz RZRODVKNQFHNCK-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301875141 1066876503 /nfs/dbraw/zinc/87/65/03/1066876503.db2.gz RZRODVKNQFHNCK-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001301875970 1066877524 /nfs/dbraw/zinc/87/75/24/1066877524.db2.gz SQORGCOZAHKHFJ-DEOSSOPVSA-N 2 1 454.663 3.472 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001301875970 1066877529 /nfs/dbraw/zinc/87/75/29/1066877529.db2.gz SQORGCOZAHKHFJ-DEOSSOPVSA-N 2 1 454.663 3.472 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001301881358 1066887807 /nfs/dbraw/zinc/88/78/07/1066887807.db2.gz DUDGMFZVZIXQCP-UHFFFAOYSA-N 2 1 461.054 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001301889140 1066905974 /nfs/dbraw/zinc/90/59/74/1066905974.db2.gz UWAXOSWVJDYYHN-FQEVSTJZSA-N 2 1 458.994 3.263 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1CC[N@@H+](C)C(C)C ZINC001302311906 1066906206 /nfs/dbraw/zinc/90/62/06/1066906206.db2.gz OJJVRIALERLREY-XWGVYQGASA-N 2 1 470.662 3.053 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CC[NH+](C)C(C)C ZINC001302311906 1066906214 /nfs/dbraw/zinc/90/62/14/1066906214.db2.gz OJJVRIALERLREY-XWGVYQGASA-N 2 1 470.662 3.053 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC[NH+](C)C(C)C ZINC001302311906 1066906225 /nfs/dbraw/zinc/90/62/25/1066906225.db2.gz OJJVRIALERLREY-XWGVYQGASA-N 2 1 470.662 3.053 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001301889469 1066907488 /nfs/dbraw/zinc/90/74/88/1066907488.db2.gz ZNAAOTMOEGIBNK-PXNSSMCTSA-N 2 1 458.632 3.368 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301890922 1066910965 /nfs/dbraw/zinc/91/09/65/1066910965.db2.gz MNKHIZGORUMTKC-QFIPXVFZSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301896016 1066917881 /nfs/dbraw/zinc/91/78/81/1066917881.db2.gz CGPYKAKPBVUVOW-UXHICEINSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001301896437 1066919599 /nfs/dbraw/zinc/91/95/99/1066919599.db2.gz JVFGKMCPIOFSOB-RBBKRZOGSA-N 2 1 452.603 3.306 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001301909720 1066933508 /nfs/dbraw/zinc/93/35/08/1066933508.db2.gz FZFODRLRRARBJD-LJQANCHMSA-N 2 1 463.070 3.267 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001301911968 1066938389 /nfs/dbraw/zinc/93/83/89/1066938389.db2.gz JABYNOZOBJLWHK-OIBXWCBGSA-N 2 1 474.625 3.119 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001301912584 1066939537 /nfs/dbraw/zinc/93/95/37/1066939537.db2.gz KTXNMJGUUZTWKY-PUHATCMVSA-N 2 1 462.683 3.187 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301913584 1066941701 /nfs/dbraw/zinc/94/17/01/1066941701.db2.gz VHMUCAVNWZPYCJ-RTWAWAEBSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301913584 1066941707 /nfs/dbraw/zinc/94/17/07/1066941707.db2.gz VHMUCAVNWZPYCJ-RTWAWAEBSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001301914134 1066943212 /nfs/dbraw/zinc/94/32/12/1066943212.db2.gz ZRSBQFPHPDXJKL-HXUWFJFHSA-N 2 1 476.616 3.180 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301918433 1066948915 /nfs/dbraw/zinc/94/89/15/1066948915.db2.gz BUGRBHJKKCYERM-LEWJYISDSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301918433 1066948921 /nfs/dbraw/zinc/94/89/21/1066948921.db2.gz BUGRBHJKKCYERM-LEWJYISDSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301918433 1066948928 /nfs/dbraw/zinc/94/89/28/1066948928.db2.gz BUGRBHJKKCYERM-LEWJYISDSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301918435 1066948970 /nfs/dbraw/zinc/94/89/70/1066948970.db2.gz BUGRBHJKKCYERM-RTWAWAEBSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301918435 1066948976 /nfs/dbraw/zinc/94/89/76/1066948976.db2.gz BUGRBHJKKCYERM-RTWAWAEBSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301918435 1066948982 /nfs/dbraw/zinc/94/89/82/1066948982.db2.gz BUGRBHJKKCYERM-RTWAWAEBSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001301918448 1066949057 /nfs/dbraw/zinc/94/90/57/1066949057.db2.gz CEKAARVMSAYAFS-NOZRDPDXSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301918434 1066949280 /nfs/dbraw/zinc/94/92/80/1066949280.db2.gz BUGRBHJKKCYERM-NHCUHLMSSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301918434 1066949289 /nfs/dbraw/zinc/94/92/89/1066949289.db2.gz BUGRBHJKKCYERM-NHCUHLMSSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301918434 1066949296 /nfs/dbraw/zinc/94/92/96/1066949296.db2.gz BUGRBHJKKCYERM-NHCUHLMSSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301919564 1066950971 /nfs/dbraw/zinc/95/09/71/1066950971.db2.gz IHPZYJVNZOYLKL-NRFANRHFSA-N 2 1 458.626 3.041 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301919564 1066950982 /nfs/dbraw/zinc/95/09/82/1066950982.db2.gz IHPZYJVNZOYLKL-NRFANRHFSA-N 2 1 458.626 3.041 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920006 1066953099 /nfs/dbraw/zinc/95/30/99/1066953099.db2.gz LTVJSUMOAHQHAT-REWPJTCUSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920006 1066953108 /nfs/dbraw/zinc/95/31/08/1066953108.db2.gz LTVJSUMOAHQHAT-REWPJTCUSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920006 1066953116 /nfs/dbraw/zinc/95/31/16/1066953116.db2.gz LTVJSUMOAHQHAT-REWPJTCUSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301921250 1066954837 /nfs/dbraw/zinc/95/48/37/1066954837.db2.gz RXUBCMMHMSCKPV-FCHUYYIVSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301922724 1066956554 /nfs/dbraw/zinc/95/65/54/1066956554.db2.gz YNSQDERUFIUWAT-JRFVFWCSSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301922724 1066956558 /nfs/dbraw/zinc/95/65/58/1066956558.db2.gz YNSQDERUFIUWAT-JRFVFWCSSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001301922724 1066956565 /nfs/dbraw/zinc/95/65/65/1066956565.db2.gz YNSQDERUFIUWAT-JRFVFWCSSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301932708 1066971522 /nfs/dbraw/zinc/97/15/22/1066971522.db2.gz IXJLTIWNTJBVMR-XPWALMASSA-N 2 1 476.710 3.086 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301933269 1066972079 /nfs/dbraw/zinc/97/20/79/1066972079.db2.gz MQVKYKGRCQAWEN-MOUTVQLLSA-N 2 1 490.737 3.333 20 0 JGADMP CC(C)(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303979331 1067027107 /nfs/dbraw/zinc/02/71/07/1067027107.db2.gz GJUGSYGRHOFUPC-UHFFFAOYSA-N 2 1 474.625 3.028 20 0 JGADMP CC(C)(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303979331 1067027121 /nfs/dbraw/zinc/02/71/21/1067027121.db2.gz GJUGSYGRHOFUPC-UHFFFAOYSA-N 2 1 474.625 3.028 20 0 JGADMP CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001302523888 1067145130 /nfs/dbraw/zinc/14/51/30/1067145130.db2.gz LPMLXHCNJCZCFX-GOTSBHOMSA-N 2 1 476.710 3.087 20 0 JGADMP CC(C)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001302569892 1067209301 /nfs/dbraw/zinc/20/93/01/1067209301.db2.gz KBGAEBGNSFTJSR-HSZRJFAPSA-N 2 1 454.663 3.349 20 0 JGADMP Cc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304325512 1067374324 /nfs/dbraw/zinc/37/43/24/1067374324.db2.gz VXIVOSSEHVGCJH-OYRHEFFESA-N 2 1 471.694 3.429 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001304374955 1067414335 /nfs/dbraw/zinc/41/43/35/1067414335.db2.gz HZIRVBSPJMSCLA-UHFFFAOYSA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001304374955 1067414338 /nfs/dbraw/zinc/41/43/38/1067414338.db2.gz HZIRVBSPJMSCLA-UHFFFAOYSA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304378105 1067421774 /nfs/dbraw/zinc/42/17/74/1067421774.db2.gz OTQJAPOZHAHKHX-MHZLTWQESA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001304379635 1067425473 /nfs/dbraw/zinc/42/54/73/1067425473.db2.gz KRDAIFXHHUOBMJ-UHFFFAOYSA-N 2 1 497.688 3.226 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001304383207 1067432400 /nfs/dbraw/zinc/43/24/00/1067432400.db2.gz IYEPSWOQYPYUHX-QHCPKHFHSA-N 2 1 497.688 3.179 20 0 JGADMP Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001304384776 1067436183 /nfs/dbraw/zinc/43/61/83/1067436183.db2.gz SWRYZQBWGSFXBF-UHFFFAOYSA-N 2 1 464.618 3.273 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304411002 1067478245 /nfs/dbraw/zinc/47/82/45/1067478245.db2.gz NLZPFMXRZAZDQE-VWLOTQADSA-N 2 1 484.689 3.489 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904914 1067489058 /nfs/dbraw/zinc/48/90/58/1067489058.db2.gz DAUFHZCJSHAQSP-RZUBCFFCSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904914 1067489063 /nfs/dbraw/zinc/48/90/63/1067489063.db2.gz DAUFHZCJSHAQSP-RZUBCFFCSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904914 1067489066 /nfs/dbraw/zinc/48/90/66/1067489066.db2.gz DAUFHZCJSHAQSP-RZUBCFFCSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904914 1067489070 /nfs/dbraw/zinc/48/90/70/1067489070.db2.gz DAUFHZCJSHAQSP-RZUBCFFCSA-N 2 1 455.651 3.006 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001302938025 1067511671 /nfs/dbraw/zinc/51/16/71/1067511671.db2.gz PECRGXGRMXPREJ-XMMPIXPASA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001302938025 1067511677 /nfs/dbraw/zinc/51/16/77/1067511677.db2.gz PECRGXGRMXPREJ-XMMPIXPASA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCC[NH+]1CCC[C@@H](C)C1 ZINC001302938025 1067511682 /nfs/dbraw/zinc/51/16/82/1067511682.db2.gz PECRGXGRMXPREJ-XMMPIXPASA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCC[NH+]1CCC[C@@H](C)C1 ZINC001302938025 1067511687 /nfs/dbraw/zinc/51/16/87/1067511687.db2.gz PECRGXGRMXPREJ-XMMPIXPASA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001302938024 1067511773 /nfs/dbraw/zinc/51/17/73/1067511773.db2.gz PECRGXGRMXPREJ-DEOSSOPVSA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001302938024 1067511783 /nfs/dbraw/zinc/51/17/83/1067511783.db2.gz PECRGXGRMXPREJ-DEOSSOPVSA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCC[NH+]1CCC[C@H](C)C1 ZINC001302938024 1067511789 /nfs/dbraw/zinc/51/17/89/1067511789.db2.gz PECRGXGRMXPREJ-DEOSSOPVSA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCC[NH+]1CCC[C@H](C)C1 ZINC001302938024 1067511796 /nfs/dbraw/zinc/51/17/96/1067511796.db2.gz PECRGXGRMXPREJ-DEOSSOPVSA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303089730 1067625903 /nfs/dbraw/zinc/62/59/03/1067625903.db2.gz GWRNBHQCLUELLY-AOHZBQACSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303089730 1067625906 /nfs/dbraw/zinc/62/59/06/1067625906.db2.gz GWRNBHQCLUELLY-AOHZBQACSA-N 2 1 476.710 3.086 20 0 JGADMP 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 1067719591 /nfs/dbraw/zinc/71/95/91/1067719591.db2.gz UQHYOYIVSFNPRD-FXSPECFOSA-N 2 1 476.710 3.217 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)cs1 ZINC001304656047 1067724256 /nfs/dbraw/zinc/72/42/56/1067724256.db2.gz FLJUNFUDKGETOD-WOJBJXKFSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)cs1 ZINC001304656047 1067724266 /nfs/dbraw/zinc/72/42/66/1067724266.db2.gz FLJUNFUDKGETOD-WOJBJXKFSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656047 1067724274 /nfs/dbraw/zinc/72/42/74/1067724274.db2.gz FLJUNFUDKGETOD-WOJBJXKFSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656047 1067724280 /nfs/dbraw/zinc/72/42/80/1067724280.db2.gz FLJUNFUDKGETOD-WOJBJXKFSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCC(C)CC2)cs1 ZINC001304657385 1067725558 /nfs/dbraw/zinc/72/55/58/1067725558.db2.gz WOEYMUPDCOYFFL-OYRHEFFESA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC[NH+]2CCC(C)CC2)cs1 ZINC001304657385 1067725567 /nfs/dbraw/zinc/72/55/67/1067725567.db2.gz WOEYMUPDCOYFFL-OYRHEFFESA-N 2 1 489.734 3.301 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001303198486 1067733334 /nfs/dbraw/zinc/73/33/34/1067733334.db2.gz CCDIXXWVNUFTDL-JOCHJYFZSA-N 2 1 488.652 3.131 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258699 1067785160 /nfs/dbraw/zinc/78/51/60/1067785160.db2.gz OCLVDMYOCPKSJG-DHIUTWEWSA-N 2 1 467.662 3.089 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001303259753 1067786242 /nfs/dbraw/zinc/78/62/42/1067786242.db2.gz YMSUBXCZOOJMRW-IFMALSPDSA-N 2 1 459.683 3.050 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001304725808 1067797925 /nfs/dbraw/zinc/79/79/25/1067797925.db2.gz KFAUWUADUMUYDU-UHFFFAOYSA-N 2 1 482.652 3.021 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001304725808 1067797932 /nfs/dbraw/zinc/79/79/32/1067797932.db2.gz KFAUWUADUMUYDU-UHFFFAOYSA-N 2 1 482.652 3.021 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001304725864 1067798414 /nfs/dbraw/zinc/79/84/14/1067798414.db2.gz LNKXZTSEYLHTPO-UHFFFAOYSA-N 2 1 478.689 3.281 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001304725864 1067798423 /nfs/dbraw/zinc/79/84/23/1067798423.db2.gz LNKXZTSEYLHTPO-UHFFFAOYSA-N 2 1 478.689 3.281 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001303270416 1067799104 /nfs/dbraw/zinc/79/91/04/1067799104.db2.gz KNBXLEGVTHQSBM-UHFFFAOYSA-N 2 1 486.068 3.131 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001303295978 1067820023 /nfs/dbraw/zinc/82/00/23/1067820023.db2.gz NZCPJXPKKYDEKH-UHFFFAOYSA-N 2 1 494.692 3.350 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303304689 1067831808 /nfs/dbraw/zinc/83/18/08/1067831808.db2.gz JYGCFVLXOWULBH-UHFFFAOYSA-N 2 1 464.456 3.441 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001303308048 1067836393 /nfs/dbraw/zinc/83/63/93/1067836393.db2.gz PCRWSNBFENPGMR-JOCHJYFZSA-N 2 1 467.445 3.239 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303308048 1067836397 /nfs/dbraw/zinc/83/63/97/1067836397.db2.gz PCRWSNBFENPGMR-JOCHJYFZSA-N 2 1 467.445 3.239 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303308048 1067836401 /nfs/dbraw/zinc/83/64/01/1067836401.db2.gz PCRWSNBFENPGMR-JOCHJYFZSA-N 2 1 467.445 3.239 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001303311959 1067840979 /nfs/dbraw/zinc/84/09/79/1067840979.db2.gz SDINGSMQBNWIJP-NRFANRHFSA-N 2 1 491.478 3.085 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304762854 1067850477 /nfs/dbraw/zinc/85/04/77/1067850477.db2.gz FFSLTZJQJQXZRR-QHCPKHFHSA-N 2 1 478.689 3.438 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303328738 1067856596 /nfs/dbraw/zinc/85/65/96/1067856596.db2.gz QJSMHESGSGYVFI-HSZRJFAPSA-N 2 1 481.689 3.249 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001303367659 1067897364 /nfs/dbraw/zinc/89/73/64/1067897364.db2.gz YYTYIVMVUHRCCF-UHFFFAOYSA-N 2 1 461.699 3.239 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381754 1067910711 /nfs/dbraw/zinc/91/07/11/1067910711.db2.gz LKQBIIKGQNYFJT-XUZZJYLKSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381754 1067910714 /nfs/dbraw/zinc/91/07/14/1067910714.db2.gz LKQBIIKGQNYFJT-XUZZJYLKSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[NH+](C(C)C)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001303396530 1067923721 /nfs/dbraw/zinc/92/37/21/1067923721.db2.gz JSFJMBKVBHSENR-UHFFFAOYSA-N 2 1 469.678 3.225 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccccc1C[NH+](C)C(C)C ZINC001303396530 1067923727 /nfs/dbraw/zinc/92/37/27/1067923727.db2.gz JSFJMBKVBHSENR-UHFFFAOYSA-N 2 1 469.678 3.225 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccccc1C[NH+](C)C(C)C ZINC001303396530 1067923731 /nfs/dbraw/zinc/92/37/31/1067923731.db2.gz JSFJMBKVBHSENR-UHFFFAOYSA-N 2 1 469.678 3.225 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001303405117 1067933391 /nfs/dbraw/zinc/93/33/91/1067933391.db2.gz IATKNIDRIGEKCX-NRFANRHFSA-N 2 1 459.683 3.136 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001303466036 1067985157 /nfs/dbraw/zinc/98/51/57/1067985157.db2.gz NYVGKQZHGKKZDE-JOCHJYFZSA-N 2 1 488.080 3.324 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001303466037 1067985235 /nfs/dbraw/zinc/98/52/35/1067985235.db2.gz NYVGKQZHGKKZDE-QFIPXVFZSA-N 2 1 488.080 3.324 20 0 JGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC001303486598 1068009056 /nfs/dbraw/zinc/00/90/56/1068009056.db2.gz NULLCBVEOSOKEM-RUZDIDTESA-N 2 1 450.627 3.034 20 0 JGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC001303486598 1068009071 /nfs/dbraw/zinc/00/90/71/1068009071.db2.gz NULLCBVEOSOKEM-RUZDIDTESA-N 2 1 450.627 3.034 20 0 JGADMP 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 1068023605 /nfs/dbraw/zinc/02/36/05/1068023605.db2.gz GXLWKQIFLVIOKK-HFZDXXHNSA-N 2 1 475.726 3.483 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)CCOC1 ZINC001303500513 1068027493 /nfs/dbraw/zinc/02/74/93/1068027493.db2.gz ICSRZZSONAYVPE-VWLOTQADSA-N 2 1 462.683 3.115 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001304992039 1068033512 /nfs/dbraw/zinc/03/35/12/1068033512.db2.gz XWTLFNLPLMYUAB-HOFKKMOUSA-N 2 1 483.705 3.321 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303503275 1068034552 /nfs/dbraw/zinc/03/45/52/1068034552.db2.gz BZSDCSBYTOKMEF-RLWLMLJZSA-N 2 1 476.710 3.360 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001303572230 1068097790 /nfs/dbraw/zinc/09/77/90/1068097790.db2.gz ZNOHLFSYHRJKCZ-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048734 1068107871 /nfs/dbraw/zinc/10/78/71/1068107871.db2.gz LRRYDVRAMWCRCG-ATIYNZHBSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048734 1068107873 /nfs/dbraw/zinc/10/78/73/1068107873.db2.gz LRRYDVRAMWCRCG-ATIYNZHBSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048734 1068107875 /nfs/dbraw/zinc/10/78/75/1068107875.db2.gz LRRYDVRAMWCRCG-ATIYNZHBSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048736 1068108621 /nfs/dbraw/zinc/10/86/21/1068108621.db2.gz LRRYDVRAMWCRCG-GJZUVCINSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048736 1068108623 /nfs/dbraw/zinc/10/86/23/1068108623.db2.gz LRRYDVRAMWCRCG-GJZUVCINSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001305048736 1068108626 /nfs/dbraw/zinc/10/86/26/1068108626.db2.gz LRRYDVRAMWCRCG-GJZUVCINSA-N 2 1 476.710 3.361 20 0 JGADMP C[C@H]1CCC[N@H+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305049538 1068109809 /nfs/dbraw/zinc/10/98/09/1068109809.db2.gz PGIVABKSLBRDAH-QFIPXVFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305049538 1068109815 /nfs/dbraw/zinc/10/98/15/1068109815.db2.gz PGIVABKSLBRDAH-QFIPXVFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@H]1CCC[NH+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305049538 1068109823 /nfs/dbraw/zinc/10/98/23/1068109823.db2.gz PGIVABKSLBRDAH-QFIPXVFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@H]1CCC[NH+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305049538 1068109829 /nfs/dbraw/zinc/10/98/29/1068109829.db2.gz PGIVABKSLBRDAH-QFIPXVFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@@H]1CCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305061381 1068127145 /nfs/dbraw/zinc/12/71/45/1068127145.db2.gz ZLXWEZJOBFOQOK-LJQANCHMSA-N 2 1 476.616 3.178 20 0 JGADMP C[C@@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305061381 1068127148 /nfs/dbraw/zinc/12/71/48/1068127148.db2.gz ZLXWEZJOBFOQOK-LJQANCHMSA-N 2 1 476.616 3.178 20 0 JGADMP C[C@@H]1CCC[NH+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305061381 1068127152 /nfs/dbraw/zinc/12/71/52/1068127152.db2.gz ZLXWEZJOBFOQOK-LJQANCHMSA-N 2 1 476.616 3.178 20 0 JGADMP C[C@@H]1CCC[NH+]1CCn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305061381 1068127156 /nfs/dbraw/zinc/12/71/56/1068127156.db2.gz ZLXWEZJOBFOQOK-LJQANCHMSA-N 2 1 476.616 3.178 20 0 JGADMP CC1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001305102860 1068169567 /nfs/dbraw/zinc/16/95/67/1068169567.db2.gz XMWPXXHISQEXBC-UHFFFAOYSA-N 2 1 471.694 3.343 20 0 JGADMP CC1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001305102860 1068169568 /nfs/dbraw/zinc/16/95/68/1068169568.db2.gz XMWPXXHISQEXBC-UHFFFAOYSA-N 2 1 471.694 3.343 20 0 JGADMP 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 1068180129 /nfs/dbraw/zinc/18/01/29/1068180129.db2.gz SVVXCCFLKVFFNG-BJKOFHAPSA-N 2 1 487.737 3.485 20 0 JGADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679153 1068216817 /nfs/dbraw/zinc/21/68/17/1068216817.db2.gz RHRYAHPMNNSMPQ-XPWALMASSA-N 2 1 456.631 3.364 20 0 JGADMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679153 1068216823 /nfs/dbraw/zinc/21/68/23/1068216823.db2.gz RHRYAHPMNNSMPQ-XPWALMASSA-N 2 1 456.631 3.364 20 0 JGADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679155 1068216862 /nfs/dbraw/zinc/21/68/62/1068216862.db2.gz RHRYAHPMNNSMPQ-ZRBLBEILSA-N 2 1 456.631 3.364 20 0 JGADMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001303679155 1068216869 /nfs/dbraw/zinc/21/68/69/1068216869.db2.gz RHRYAHPMNNSMPQ-ZRBLBEILSA-N 2 1 456.631 3.364 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303697216 1068240837 /nfs/dbraw/zinc/24/08/37/1068240837.db2.gz WVZFKJWVJAOKBL-HNNXBMFYSA-N 2 1 485.496 3.266 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303697216 1068240848 /nfs/dbraw/zinc/24/08/48/1068240848.db2.gz WVZFKJWVJAOKBL-HNNXBMFYSA-N 2 1 485.496 3.266 20 0 JGADMP C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC001303700049 1068242671 /nfs/dbraw/zinc/24/26/71/1068242671.db2.gz AIXDISSGJBPQCK-IBGZPJMESA-N 2 1 458.626 3.362 20 0 JGADMP C[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC001303700049 1068242681 /nfs/dbraw/zinc/24/26/81/1068242681.db2.gz AIXDISSGJBPQCK-IBGZPJMESA-N 2 1 458.626 3.362 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305153193 1068261248 /nfs/dbraw/zinc/26/12/48/1068261248.db2.gz XZCJBWBZCBRXBW-SIKLNZKXSA-N 2 1 461.054 3.486 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305153193 1068261261 /nfs/dbraw/zinc/26/12/61/1068261261.db2.gz XZCJBWBZCBRXBW-SIKLNZKXSA-N 2 1 461.054 3.486 20 0 JGADMP C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303734428 1068290806 /nfs/dbraw/zinc/29/08/06/1068290806.db2.gz INZADYZCQDIKAZ-VXKWHMMOSA-N 2 1 454.663 3.093 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305224605 1068367027 /nfs/dbraw/zinc/36/70/27/1068367027.db2.gz YBOZSJPOXWZRLP-ZRZAMGCNSA-N 2 1 454.663 3.093 20 0 JGADMP CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303902134 1068545550 /nfs/dbraw/zinc/54/55/50/1068545550.db2.gz LZNLGFILOLIKGX-NZQKXSOJSA-N 2 1 474.625 3.198 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303902134 1068545557 /nfs/dbraw/zinc/54/55/57/1068545557.db2.gz LZNLGFILOLIKGX-NZQKXSOJSA-N 2 1 474.625 3.198 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305378471 1068630960 /nfs/dbraw/zinc/63/09/60/1068630960.db2.gz WHUOHAWRVPPCHU-XXBNENTESA-N 2 1 452.713 3.024 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305412984 1068652091 /nfs/dbraw/zinc/65/20/91/1068652091.db2.gz SBGAMXSJVJOJMI-LGGPRVQUSA-N 2 1 487.718 3.145 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305429471 1068668026 /nfs/dbraw/zinc/66/80/26/1068668026.db2.gz MKNNHDISQCKIRC-AMZDPNTKSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305503555 1068738655 /nfs/dbraw/zinc/73/86/55/1068738655.db2.gz DHAQKUYRKYARDS-JOCHJYFZSA-N 2 1 481.689 3.036 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305503555 1068738660 /nfs/dbraw/zinc/73/86/60/1068738660.db2.gz DHAQKUYRKYARDS-JOCHJYFZSA-N 2 1 481.689 3.036 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305540743 1068810109 /nfs/dbraw/zinc/81/01/09/1068810109.db2.gz FFXWKRSHVGKDNG-NKKJXINNSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305540746 1068810700 /nfs/dbraw/zinc/81/07/00/1068810700.db2.gz FFXWKRSHVGKDNG-TUACAJSNSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305611835 1068886653 /nfs/dbraw/zinc/88/66/53/1068886653.db2.gz NPSGHEATQVKFOF-HXUWFJFHSA-N 2 1 494.688 3.357 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001305611835 1068886663 /nfs/dbraw/zinc/88/66/63/1068886663.db2.gz NPSGHEATQVKFOF-HXUWFJFHSA-N 2 1 494.688 3.357 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614077 1068890628 /nfs/dbraw/zinc/89/06/28/1068890628.db2.gz JFVLOODTTYFGQZ-NZQKXSOJSA-N 2 1 467.662 3.060 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614080 1068890799 /nfs/dbraw/zinc/89/07/99/1068890799.db2.gz JFVLOODTTYFGQZ-REWPJTCUSA-N 2 1 467.662 3.060 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001305615486 1068893721 /nfs/dbraw/zinc/89/37/21/1068893721.db2.gz WPSMZJZZRXOZJS-FKBYEOEOSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001305615486 1068893727 /nfs/dbraw/zinc/89/37/27/1068893727.db2.gz WPSMZJZZRXOZJS-FKBYEOEOSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001305615486 1068893736 /nfs/dbraw/zinc/89/37/36/1068893736.db2.gz WPSMZJZZRXOZJS-FKBYEOEOSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305615763 1068894201 /nfs/dbraw/zinc/89/42/01/1068894201.db2.gz CFNAHOREERYXOG-NRFANRHFSA-N 2 1 470.662 3.300 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001305615763 1068894208 /nfs/dbraw/zinc/89/42/08/1068894208.db2.gz CFNAHOREERYXOG-NRFANRHFSA-N 2 1 470.662 3.300 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001305616208 1068896119 /nfs/dbraw/zinc/89/61/19/1068896119.db2.gz UJLQRDKNNBOAEV-KEZOAJOQSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305621505 1068908040 /nfs/dbraw/zinc/90/80/40/1068908040.db2.gz ZNPVPDBBHQVZOO-PMACEKPBSA-N 2 1 476.616 3.178 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305621505 1068908045 /nfs/dbraw/zinc/90/80/45/1068908045.db2.gz ZNPVPDBBHQVZOO-PMACEKPBSA-N 2 1 476.616 3.178 20 0 JGADMP 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 1068908141 /nfs/dbraw/zinc/90/81/41/1068908141.db2.gz MSBZNFZPCGUFCG-CJRSTVEYSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621589 1068908150 /nfs/dbraw/zinc/90/81/50/1068908150.db2.gz MSBZNFZPCGUFCG-CJRSTVEYSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621589 1068908163 /nfs/dbraw/zinc/90/81/63/1068908163.db2.gz MSBZNFZPCGUFCG-CJRSTVEYSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305621506 1068908286 /nfs/dbraw/zinc/90/82/86/1068908286.db2.gz ZNPVPDBBHQVZOO-UXHICEINSA-N 2 1 476.616 3.178 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305621506 1068908298 /nfs/dbraw/zinc/90/82/98/1068908298.db2.gz ZNPVPDBBHQVZOO-UXHICEINSA-N 2 1 476.616 3.178 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305621507 1068908335 /nfs/dbraw/zinc/90/83/35/1068908335.db2.gz ZNPVPDBBHQVZOO-VQTJNVASSA-N 2 1 476.616 3.178 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305621507 1068908347 /nfs/dbraw/zinc/90/83/47/1068908347.db2.gz ZNPVPDBBHQVZOO-VQTJNVASSA-N 2 1 476.616 3.178 20 0 JGADMP 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 1068908373 /nfs/dbraw/zinc/90/83/73/1068908373.db2.gz MSBZNFZPCGUFCG-OLKYXYMISA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621591 1068908382 /nfs/dbraw/zinc/90/83/82/1068908382.db2.gz MSBZNFZPCGUFCG-OLKYXYMISA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621591 1068908396 /nfs/dbraw/zinc/90/83/96/1068908396.db2.gz MSBZNFZPCGUFCG-OLKYXYMISA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001305667247 1069010210 /nfs/dbraw/zinc/01/02/10/1069010210.db2.gz WTMKYYXEHOYLNC-BVAGGSTKSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667247 1069010217 /nfs/dbraw/zinc/01/02/17/1069010217.db2.gz WTMKYYXEHOYLNC-BVAGGSTKSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677068 1069031970 /nfs/dbraw/zinc/03/19/70/1069031970.db2.gz WEAZZNOMIVDKGZ-LOSJGSFVSA-N 2 1 495.716 3.293 20 0 JGADMP CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC001305704343 1069090560 /nfs/dbraw/zinc/09/05/60/1069090560.db2.gz FAJSHLUJPFPKPU-OFNKIYASSA-N 2 1 473.710 3.191 20 0 JGADMP CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001305710900 1069108836 /nfs/dbraw/zinc/10/88/36/1069108836.db2.gz XQPGCLYEYYJPGJ-DQEYMECFSA-N 2 1 495.716 3.363 20 0 JGADMP CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305714186 1069117193 /nfs/dbraw/zinc/11/71/93/1069117193.db2.gz ZKEOWINDPFXQLO-DEOSSOPVSA-N 2 1 487.737 3.437 20 0 JGADMP CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001305714186 1069117197 /nfs/dbraw/zinc/11/71/97/1069117197.db2.gz ZKEOWINDPFXQLO-DEOSSOPVSA-N 2 1 487.737 3.437 20 0 JGADMP 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 1069117680 /nfs/dbraw/zinc/11/76/80/1069117680.db2.gz JFNWUDLJAPSTKF-OUVPSQHASA-N 2 1 476.710 3.358 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCn1cc[nH+]c1C ZINC001305769277 1069243744 /nfs/dbraw/zinc/24/37/44/1069243744.db2.gz PPYCSUPOUUCKHY-JOCHJYFZSA-N 2 1 484.693 3.350 20 0 JGADMP 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 1069251598 /nfs/dbraw/zinc/25/15/98/1069251598.db2.gz JZCOMDFXLVIAKU-SFTDATJTSA-N 2 1 491.725 3.006 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305780355 1069270590 /nfs/dbraw/zinc/27/05/90/1069270590.db2.gz CBDOMCFWTLVWSP-VQTJNVASSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305780355 1069270594 /nfs/dbraw/zinc/27/05/94/1069270594.db2.gz CBDOMCFWTLVWSP-VQTJNVASSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787453 1069293919 /nfs/dbraw/zinc/29/39/19/1069293919.db2.gz AFXCTEKMLMCAJT-DHIUTWEWSA-N 2 1 485.652 3.313 20 0 JGADMP O=C1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)CC2(CC[NH2+]CC2)N1 ZINC001164391687 718809710 /nfs/dbraw/zinc/80/97/10/718809710.db2.gz HHBNGYNPFLLTBW-UHFFFAOYSA-N 2 1 476.650 3.403 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164417987 718892738 /nfs/dbraw/zinc/89/27/38/718892738.db2.gz MJVHEYIMVOPXBD-XXBNENTESA-N 2 1 457.663 3.239 20 0 JGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001164425322 718918537 /nfs/dbraw/zinc/91/85/37/718918537.db2.gz RQONJFUGBLMOIA-XMMPIXPASA-N 2 1 453.612 3.005 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164614703 719017835 /nfs/dbraw/zinc/01/78/35/719017835.db2.gz GEPCALUDYNWOOF-ZAWLATJESA-N 2 1 469.655 3.142 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683447 719671261 /nfs/dbraw/zinc/67/12/61/719671261.db2.gz RWXUWBGOURXJSG-OAQYLSRUSA-N 2 1 490.652 3.171 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690376 719760850 /nfs/dbraw/zinc/76/08/50/719760850.db2.gz BBKPKBBFRVTXNI-FNZWTVRRSA-N 2 1 460.557 3.228 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690376 719760873 /nfs/dbraw/zinc/76/08/73/719760873.db2.gz BBKPKBBFRVTXNI-FNZWTVRRSA-N 2 1 460.557 3.228 20 0 JGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164710859 720134907 /nfs/dbraw/zinc/13/49/07/720134907.db2.gz FBQCIBBIOVFAJU-XMMPIXPASA-N 2 1 465.642 3.459 20 0 JGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833003 720322858 /nfs/dbraw/zinc/32/28/58/720322858.db2.gz VJOFXZVGUULTRT-RPWUZVMVSA-N 2 1 458.610 3.391 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749328 720832727 /nfs/dbraw/zinc/83/27/27/720832727.db2.gz VPUUAUPPNLQBBJ-GIFXNVAJSA-N 2 1 468.609 3.451 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749328 720832730 /nfs/dbraw/zinc/83/27/30/720832730.db2.gz VPUUAUPPNLQBBJ-GIFXNVAJSA-N 2 1 468.609 3.451 20 0 JGADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164853369 720875508 /nfs/dbraw/zinc/87/55/08/720875508.db2.gz CCHFHNVCCCAWNM-TZIWHRDSSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164853369 720875510 /nfs/dbraw/zinc/87/55/10/720875510.db2.gz CCHFHNVCCCAWNM-TZIWHRDSSA-N 2 1 485.698 3.339 20 0 JGADMP CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755695 720897825 /nfs/dbraw/zinc/89/78/25/720897825.db2.gz MQOFTGZHEAIJST-CUBQBAPOSA-N 2 1 492.668 3.026 20 0 JGADMP CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755695 720897826 /nfs/dbraw/zinc/89/78/26/720897826.db2.gz MQOFTGZHEAIJST-CUBQBAPOSA-N 2 1 492.668 3.026 20 0 JGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cccc(N4CCOCC4)[nH+]2)C3)c1 ZINC001164749644 720899224 /nfs/dbraw/zinc/89/92/24/720899224.db2.gz ANVTXNYURRQCBT-IGKIAQTJSA-N 2 1 463.626 3.068 20 0 JGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751781 720899465 /nfs/dbraw/zinc/89/94/65/720899465.db2.gz DOZKLDYMQJQATC-SHQCIBLASA-N 2 1 462.642 3.094 20 0 JGADMP c1nc2n(c1CN(c1ccccn1)c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164760801 721041198 /nfs/dbraw/zinc/04/11/98/721041198.db2.gz DHUOIYGUUGGVQE-UHFFFAOYSA-N 2 1 466.593 3.110 20 0 JGADMP c1nc2n(c1CN(c1ccccn1)c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164760801 721041205 /nfs/dbraw/zinc/04/12/05/721041205.db2.gz DHUOIYGUUGGVQE-UHFFFAOYSA-N 2 1 466.593 3.110 20 0 JGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1 ZINC001164879209 721290905 /nfs/dbraw/zinc/29/09/05/721290905.db2.gz XBIVTDDCIULELL-QHCPKHFHSA-N 2 1 457.663 3.026 20 0 JGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001164879209 721290912 /nfs/dbraw/zinc/29/09/12/721290912.db2.gz XBIVTDDCIULELL-QHCPKHFHSA-N 2 1 457.663 3.026 20 0 JGADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001164879209 721290919 /nfs/dbraw/zinc/29/09/19/721290919.db2.gz XBIVTDDCIULELL-QHCPKHFHSA-N 2 1 457.663 3.026 20 0 JGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164786810 721455252 /nfs/dbraw/zinc/45/52/52/721455252.db2.gz NRYZGXWMVMWTSO-OAQYLSRUSA-N 2 1 478.081 3.331 20 0 JGADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n2)CC1 ZINC001164796802 721498098 /nfs/dbraw/zinc/49/80/98/721498098.db2.gz YNABEQNBPATRLQ-UHFFFAOYSA-N 2 1 464.614 3.142 20 0 JGADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)CC1 ZINC001164796802 721498099 /nfs/dbraw/zinc/49/80/99/721498099.db2.gz YNABEQNBPATRLQ-UHFFFAOYSA-N 2 1 464.614 3.142 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCCC1 ZINC001298239547 1064144112 /nfs/dbraw/zinc/14/41/12/1064144112.db2.gz IOMYTXHWLBDHGZ-UHFFFAOYSA-N 2 1 472.653 3.289 20 0 JGADMP C[N@H+](CCCn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679003 1064469142 /nfs/dbraw/zinc/46/91/42/1064469142.db2.gz IRVTYFZJQOQJND-SANMLTNESA-N 2 1 454.663 3.399 20 0 JGADMP C[N@@H+](CCCn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298679003 1064469148 /nfs/dbraw/zinc/46/91/48/1064469148.db2.gz IRVTYFZJQOQJND-SANMLTNESA-N 2 1 454.663 3.399 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001298728358 1064540872 /nfs/dbraw/zinc/54/08/72/1064540872.db2.gz RVUUEJWRHSLSAS-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCCC1 ZINC001298728358 1064540887 /nfs/dbraw/zinc/54/08/87/1064540887.db2.gz RVUUEJWRHSLSAS-UHFFFAOYSA-N 2 1 455.651 3.152 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728886 1064543065 /nfs/dbraw/zinc/54/30/65/1064543065.db2.gz CAXFDNOACRDOTH-XMMPIXPASA-N 2 1 495.647 3.253 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728886 1064543071 /nfs/dbraw/zinc/54/30/71/1064543071.db2.gz CAXFDNOACRDOTH-XMMPIXPASA-N 2 1 495.647 3.253 20 0 JGADMP C[N@H+]1CC[C@@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298882312 1064689505 /nfs/dbraw/zinc/68/95/05/1064689505.db2.gz UIQSMQSWTBBOFG-MHZLTWQESA-N 2 1 484.689 3.142 20 0 JGADMP C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298884346 1064690220 /nfs/dbraw/zinc/69/02/20/1064690220.db2.gz AQTFNJJVDNJEST-NRFANRHFSA-N 2 1 454.667 3.414 20 0 JGADMP CO[C@@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299768190 1064965065 /nfs/dbraw/zinc/96/50/65/1064965065.db2.gz LISCBODJFXUOLA-NDEPHWFRSA-N 2 1 497.732 3.378 20 0 JGADMP COc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001299997709 1065308261 /nfs/dbraw/zinc/30/82/61/1065308261.db2.gz NDAKOMIWXFPBLI-UHFFFAOYSA-N 2 1 470.662 3.233 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492269305 1065364980 /nfs/dbraw/zinc/36/49/80/1065364980.db2.gz YALGCOZZEWGQFN-HXUWFJFHSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492353196 1065414582 /nfs/dbraw/zinc/41/45/82/1065414582.db2.gz UCSHCVWDOZWWKV-SANMLTNESA-N 2 1 470.662 3.054 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001492377240 1065440813 /nfs/dbraw/zinc/44/08/13/1065440813.db2.gz NTNMDUIZXXZUOL-UHFFFAOYSA-N 2 1 497.732 3.360 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001492377240 1065440819 /nfs/dbraw/zinc/44/08/19/1065440819.db2.gz NTNMDUIZXXZUOL-UHFFFAOYSA-N 2 1 497.732 3.360 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001492377240 1065440826 /nfs/dbraw/zinc/44/08/26/1065440826.db2.gz NTNMDUIZXXZUOL-UHFFFAOYSA-N 2 1 497.732 3.360 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302054156 1066446549 /nfs/dbraw/zinc/44/65/49/1066446549.db2.gz LDLPEQAUVFTNAO-ACESQOTJSA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302054160 1066446571 /nfs/dbraw/zinc/44/65/71/1066446571.db2.gz LDLPEQAUVFTNAO-GPJHCHHRSA-N 2 1 462.683 3.187 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301607710 1066454292 /nfs/dbraw/zinc/45/42/92/1066454292.db2.gz PCUUVKUMYMEWQT-LJQANCHMSA-N 2 1 465.017 3.380 20 0 JGADMP COCCC[NH+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301607710 1066454299 /nfs/dbraw/zinc/45/42/99/1066454299.db2.gz PCUUVKUMYMEWQT-LJQANCHMSA-N 2 1 465.017 3.380 20 0 JGADMP COCCC[NH+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301607710 1066454304 /nfs/dbraw/zinc/45/43/04/1066454304.db2.gz PCUUVKUMYMEWQT-LJQANCHMSA-N 2 1 465.017 3.380 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001301607917 1066455174 /nfs/dbraw/zinc/45/51/74/1066455174.db2.gz TZSRQBASCMDFOG-UHFFFAOYSA-N 2 1 476.069 3.417 20 0 JGADMP COCCC[NH+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301607917 1066455178 /nfs/dbraw/zinc/45/51/78/1066455178.db2.gz TZSRQBASCMDFOG-UHFFFAOYSA-N 2 1 476.069 3.417 20 0 JGADMP COCCC[NH+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001301607917 1066455184 /nfs/dbraw/zinc/45/51/84/1066455184.db2.gz TZSRQBASCMDFOG-UHFFFAOYSA-N 2 1 476.069 3.417 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302065905 1066466344 /nfs/dbraw/zinc/46/63/44/1066466344.db2.gz AALNLGMPALIRRI-VXKWHMMOSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001302065905 1066466346 /nfs/dbraw/zinc/46/63/46/1066466346.db2.gz AALNLGMPALIRRI-VXKWHMMOSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001302065905 1066466349 /nfs/dbraw/zinc/46/63/49/1066466349.db2.gz AALNLGMPALIRRI-VXKWHMMOSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302068410 1066472009 /nfs/dbraw/zinc/47/20/09/1066472009.db2.gz PFDKDIBXRUNNDX-OAQYLSRUSA-N 2 1 450.672 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001302068410 1066472015 /nfs/dbraw/zinc/47/20/15/1066472015.db2.gz PFDKDIBXRUNNDX-OAQYLSRUSA-N 2 1 450.672 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001302068410 1066472026 /nfs/dbraw/zinc/47/20/26/1066472026.db2.gz PFDKDIBXRUNNDX-OAQYLSRUSA-N 2 1 450.672 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001302068909 1066472659 /nfs/dbraw/zinc/47/26/59/1066472659.db2.gz RTCPHTZRJAXWHF-OAQYLSRUSA-N 2 1 450.672 3.189 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302091649 1066519429 /nfs/dbraw/zinc/51/94/29/1066519429.db2.gz FWSIJLAIHWBZKG-YPAWHYETSA-N 2 1 462.683 3.187 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708028 1066599223 /nfs/dbraw/zinc/59/92/23/1066599223.db2.gz GZFLWUPBRSVHHV-XUZZJYLKSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708028 1066599234 /nfs/dbraw/zinc/59/92/34/1066599234.db2.gz GZFLWUPBRSVHHV-XUZZJYLKSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@@H]2C)CC1 ZINC001301708028 1066599242 /nfs/dbraw/zinc/59/92/42/1066599242.db2.gz GZFLWUPBRSVHHV-XUZZJYLKSA-N 2 1 473.710 3.045 20 0 JGADMP 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 1066600762 /nfs/dbraw/zinc/60/07/62/1066600762.db2.gz KYVKKOJVWUEOCD-HYVLGVRCSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001301708300 1066600766 /nfs/dbraw/zinc/60/07/66/1066600766.db2.gz KYVKKOJVWUEOCD-HYVLGVRCSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001301708300 1066600771 /nfs/dbraw/zinc/60/07/71/1066600771.db2.gz KYVKKOJVWUEOCD-HYVLGVRCSA-N 2 1 487.737 3.075 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001301726091 1066642333 /nfs/dbraw/zinc/64/23/33/1066642333.db2.gz OMISUOULTVLTQL-UHFFFAOYSA-N 2 1 453.006 3.094 20 0 JGADMP COCC[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001301736090 1066658080 /nfs/dbraw/zinc/65/80/80/1066658080.db2.gz HUTQVNFEGXMLJK-OAQYLSRUSA-N 2 1 458.676 3.132 20 0 JGADMP COCC[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301736090 1066658090 /nfs/dbraw/zinc/65/80/90/1066658090.db2.gz HUTQVNFEGXMLJK-OAQYLSRUSA-N 2 1 458.676 3.132 20 0 JGADMP COCC[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001301736090 1066658094 /nfs/dbraw/zinc/65/80/94/1066658094.db2.gz HUTQVNFEGXMLJK-OAQYLSRUSA-N 2 1 458.676 3.132 20 0 JGADMP COCC[N@H+](C)CCn1c(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301742095 1066664382 /nfs/dbraw/zinc/66/43/82/1066664382.db2.gz VJXZWCCCNQECEW-FQEVSTJZSA-N 2 1 458.651 3.046 20 0 JGADMP COCC[N@@H+](C)CCn1c(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)nnc1C(C)(C)C ZINC001301742095 1066664387 /nfs/dbraw/zinc/66/43/87/1066664387.db2.gz VJXZWCCCNQECEW-FQEVSTJZSA-N 2 1 458.651 3.046 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001301873875 1066874131 /nfs/dbraw/zinc/87/41/31/1066874131.db2.gz BNSSVRGYMOEXPQ-QHCPKHFHSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001301873875 1066874134 /nfs/dbraw/zinc/87/41/34/1066874134.db2.gz BNSSVRGYMOEXPQ-QHCPKHFHSA-N 2 1 497.688 3.180 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302303610 1066891085 /nfs/dbraw/zinc/89/10/85/1066891085.db2.gz JYMGQDIERFNWLI-VABKMULXSA-N 2 1 462.683 3.045 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301886244 1066896809 /nfs/dbraw/zinc/89/68/09/1066896809.db2.gz SXKJZXIHYGWWFL-MRXNPFEDSA-N 2 1 483.480 3.022 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001301887015 1066898987 /nfs/dbraw/zinc/89/89/87/1066898987.db2.gz FYSDCMNKRURJNC-HOTGVXAUSA-N 2 1 455.434 3.359 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001301889391 1066907144 /nfs/dbraw/zinc/90/71/44/1066907144.db2.gz XBISNKMDDALIJZ-UHFFFAOYSA-N 2 1 461.054 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301889391 1066907155 /nfs/dbraw/zinc/90/71/55/1066907155.db2.gz XBISNKMDDALIJZ-UHFFFAOYSA-N 2 1 461.054 3.489 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001301889468 1066907527 /nfs/dbraw/zinc/90/75/27/1066907527.db2.gz ZNAAOTMOEGIBNK-FXAWDEMLSA-N 2 1 458.632 3.368 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301891882 1066912685 /nfs/dbraw/zinc/91/26/85/1066912685.db2.gz RQKQHWNJSXEJER-FCHUYYIVSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896047 1066917800 /nfs/dbraw/zinc/91/78/00/1066917800.db2.gz DFWCKIYJULLVOZ-SFTDATJTSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896047 1066917809 /nfs/dbraw/zinc/91/78/09/1066917809.db2.gz DFWCKIYJULLVOZ-SFTDATJTSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896047 1066917815 /nfs/dbraw/zinc/91/78/15/1066917815.db2.gz DFWCKIYJULLVOZ-SFTDATJTSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301910887 1066935898 /nfs/dbraw/zinc/93/58/98/1066935898.db2.gz JSVMGQAOBUVOFD-RXFWQSSRSA-N 2 1 490.643 3.426 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301918299 1066948319 /nfs/dbraw/zinc/94/83/19/1066948319.db2.gz HBDBXWKMPYGEJY-WIOPSUGQSA-N 2 1 477.657 3.032 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001301918358 1066948425 /nfs/dbraw/zinc/94/84/25/1066948425.db2.gz ACNFQJBZSSSMKX-FQEVSTJZSA-N 2 1 458.626 3.039 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301926997 1066960841 /nfs/dbraw/zinc/96/08/41/1066960841.db2.gz RSHFHUFUBQVVCC-ISKFKSNPSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301926997 1066960850 /nfs/dbraw/zinc/96/08/50/1066960850.db2.gz RSHFHUFUBQVVCC-ISKFKSNPSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301926997 1066960863 /nfs/dbraw/zinc/96/08/63/1066960863.db2.gz RSHFHUFUBQVVCC-ISKFKSNPSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001301927361 1066961970 /nfs/dbraw/zinc/96/19/70/1066961970.db2.gz DCMFDZUVEOLAHR-QHCPKHFHSA-N 2 1 470.662 3.198 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301927574 1066963265 /nfs/dbraw/zinc/96/32/65/1066963265.db2.gz JRMDIYGHJIPHQE-PKTZIBPZSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301927574 1066963272 /nfs/dbraw/zinc/96/32/72/1066963272.db2.gz JRMDIYGHJIPHQE-PKTZIBPZSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301927574 1066963277 /nfs/dbraw/zinc/96/32/77/1066963277.db2.gz JRMDIYGHJIPHQE-PKTZIBPZSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001301928041 1066964936 /nfs/dbraw/zinc/96/49/36/1066964936.db2.gz RQIKDCKODPJZIZ-RPWUZVMVSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001301928041 1066964945 /nfs/dbraw/zinc/96/49/45/1066964945.db2.gz RQIKDCKODPJZIZ-RPWUZVMVSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001301928041 1066964954 /nfs/dbraw/zinc/96/49/54/1066964954.db2.gz RQIKDCKODPJZIZ-RPWUZVMVSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001301928042 1066965322 /nfs/dbraw/zinc/96/53/22/1066965322.db2.gz RQIKDCKODPJZIZ-ZEQRLZLVSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001301928042 1066965329 /nfs/dbraw/zinc/96/53/29/1066965329.db2.gz RQIKDCKODPJZIZ-ZEQRLZLVSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001301928042 1066965340 /nfs/dbraw/zinc/96/53/40/1066965340.db2.gz RQIKDCKODPJZIZ-ZEQRLZLVSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301933474 1066972723 /nfs/dbraw/zinc/97/27/23/1066972723.db2.gz NQASUIAKJGASKZ-UHFFFAOYSA-N 2 1 477.078 3.254 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301933474 1066972731 /nfs/dbraw/zinc/97/27/31/1066972731.db2.gz NQASUIAKJGASKZ-UHFFFAOYSA-N 2 1 477.078 3.254 20 0 JGADMP Cc1cccc(O[C@@H](C)c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCOCC[NH+](C)C)c1C ZINC001304030157 1067078463 /nfs/dbraw/zinc/07/84/63/1067078463.db2.gz NLFXJBRDTSSMTA-XZOQPEGZSA-N 2 1 470.662 3.288 20 0 JGADMP CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523378 1067144141 /nfs/dbraw/zinc/14/41/41/1067144141.db2.gz JENADBRDTQCUTM-RPWUZVMVSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001302523378 1067144146 /nfs/dbraw/zinc/14/41/46/1067144146.db2.gz JENADBRDTQCUTM-RPWUZVMVSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302527165 1067153106 /nfs/dbraw/zinc/15/31/06/1067153106.db2.gz ZFKLPSUPTZGMQS-DEOSSOPVSA-N 2 1 483.705 3.179 20 0 JGADMP 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 1067182877 /nfs/dbraw/zinc/18/28/77/1067182877.db2.gz VHPHADULWLAJFW-NLFFAJNJSA-N 2 1 491.080 3.285 20 0 JGADMP CSC1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+](C)CC1 ZINC001302623973 1067253970 /nfs/dbraw/zinc/25/39/70/1067253970.db2.gz VXDQNPOEDUDSDG-UHFFFAOYSA-N 2 1 488.750 3.278 20 0 JGADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304269073 1067303256 /nfs/dbraw/zinc/30/32/56/1067303256.db2.gz UUSCWFWEHNFHTH-DHIUTWEWSA-N 2 1 484.689 3.398 20 0 JGADMP 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 1067400875 /nfs/dbraw/zinc/40/08/75/1067400875.db2.gz YUDGTFVGSUJFJX-XPWALMASSA-N 2 1 470.710 3.244 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4OC)C3)CC2)CC1 ZINC001304383550 1067432975 /nfs/dbraw/zinc/43/29/75/1067432975.db2.gz ZYFOGZBLDCXWLD-OAQYLSRUSA-N 2 1 456.631 3.069 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1C ZINC001304410927 1067478347 /nfs/dbraw/zinc/47/83/47/1067478347.db2.gz XZDKDZPJEVIRAP-MHZLTWQESA-N 2 1 484.689 3.097 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001304410927 1067478351 /nfs/dbraw/zinc/47/83/51/1067478351.db2.gz XZDKDZPJEVIRAP-MHZLTWQESA-N 2 1 484.689 3.097 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001304410927 1067478359 /nfs/dbraw/zinc/47/83/59/1067478359.db2.gz XZDKDZPJEVIRAP-MHZLTWQESA-N 2 1 484.689 3.097 20 0 JGADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC[NH+](C)Cc1ccccc1 ZINC001302902755 1067488041 /nfs/dbraw/zinc/48/80/41/1067488041.db2.gz OIRVLLVGPRMXRL-NRFANRHFSA-N 2 1 454.663 3.397 20 0 JGADMP C[C@H]1C[NH+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC[N@H+](C)Cc1ccccc1 ZINC001302902755 1067488044 /nfs/dbraw/zinc/48/80/44/1067488044.db2.gz OIRVLLVGPRMXRL-NRFANRHFSA-N 2 1 454.663 3.397 20 0 JGADMP C[C@H]1C[NH+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC[N@@H+](C)Cc1ccccc1 ZINC001302902755 1067488047 /nfs/dbraw/zinc/48/80/47/1067488047.db2.gz OIRVLLVGPRMXRL-NRFANRHFSA-N 2 1 454.663 3.397 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905724 1067490706 /nfs/dbraw/zinc/49/07/06/1067490706.db2.gz VQWSOTABCXBGLM-CBJLPSGESA-N 2 1 470.662 3.020 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905724 1067490711 /nfs/dbraw/zinc/49/07/11/1067490711.db2.gz VQWSOTABCXBGLM-CBJLPSGESA-N 2 1 470.662 3.020 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001304419052 1067493200 /nfs/dbraw/zinc/49/32/00/1067493200.db2.gz VGFYGJBWBIPQBO-UHFFFAOYSA-N 2 1 483.705 3.030 20 0 JGADMP Cc1ccccc1-c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC[N@H+](C)C(C)C ZINC001304526245 1067599024 /nfs/dbraw/zinc/59/90/24/1067599024.db2.gz UPKQDNZTOXAJLT-UHFFFAOYSA-N 2 1 464.662 3.391 20 0 JGADMP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)C1 ZINC001303172781 1067706413 /nfs/dbraw/zinc/70/64/13/1067706413.db2.gz NBQHAJQKEQPDOB-OAQYLSRUSA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)C1 ZINC001303172781 1067706421 /nfs/dbraw/zinc/70/64/21/1067706421.db2.gz NBQHAJQKEQPDOB-OAQYLSRUSA-N 2 1 487.718 3.168 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+](C)C2CCCCC2)cs1 ZINC001304657065 1067725448 /nfs/dbraw/zinc/72/54/48/1067725448.db2.gz SCWNQDOEKGFTIP-UHFFFAOYSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+](C)C2CCCCC2)cs1 ZINC001304657065 1067725453 /nfs/dbraw/zinc/72/54/53/1067725453.db2.gz SCWNQDOEKGFTIP-UHFFFAOYSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@H+](C)C2CCCCC2)cs1 ZINC001304657065 1067725459 /nfs/dbraw/zinc/72/54/59/1067725459.db2.gz SCWNQDOEKGFTIP-UHFFFAOYSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@@H+](C)C2CCCCC2)cs1 ZINC001304657065 1067725467 /nfs/dbraw/zinc/72/54/67/1067725467.db2.gz SCWNQDOEKGFTIP-UHFFFAOYSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC001304667737 1067735863 /nfs/dbraw/zinc/73/58/63/1067735863.db2.gz GRZLRBITGUTHHF-JOCHJYFZSA-N 2 1 489.734 3.181 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC[C@@H]2CO)cs1 ZINC001304667737 1067735870 /nfs/dbraw/zinc/73/58/70/1067735870.db2.gz GRZLRBITGUTHHF-JOCHJYFZSA-N 2 1 489.734 3.181 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC[C@@H]2CO)cs1 ZINC001304667737 1067735876 /nfs/dbraw/zinc/73/58/76/1067735876.db2.gz GRZLRBITGUTHHF-JOCHJYFZSA-N 2 1 489.734 3.181 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001303254577 1067779596 /nfs/dbraw/zinc/77/95/96/1067779596.db2.gz BIVWNUBOJPKVTN-JOCHJYFZSA-N 2 1 473.710 3.335 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303261840 1067788903 /nfs/dbraw/zinc/78/89/03/1067788903.db2.gz YTQMNWYIIQEKKL-UHFFFAOYSA-N 2 1 466.472 3.307 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001304725419 1067797517 /nfs/dbraw/zinc/79/75/17/1067797517.db2.gz MEFYHFSLPQYEGA-OAQYLSRUSA-N 2 1 470.691 3.438 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001304725756 1067798057 /nfs/dbraw/zinc/79/80/57/1067798057.db2.gz IDIMUQAUEDRALV-NRFANRHFSA-N 2 1 470.710 3.414 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001304726130 1067798763 /nfs/dbraw/zinc/79/87/63/1067798763.db2.gz VPXDUJOUKNQQDP-NQIIRXRSSA-N 2 1 498.651 3.180 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001303276968 1067804700 /nfs/dbraw/zinc/80/47/00/1067804700.db2.gz PWCNCVVKYLTSHG-OAQYLSRUSA-N 2 1 489.659 3.092 20 0 JGADMP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1)C(C)C ZINC001303292995 1067819197 /nfs/dbraw/zinc/81/91/97/1067819197.db2.gz XWTXMFWIAJYNSB-UHFFFAOYSA-N 2 1 482.677 3.499 20 0 JGADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001303298399 1067823025 /nfs/dbraw/zinc/82/30/25/1067823025.db2.gz SPXHDIJPNMPEFN-QFIPXVFZSA-N 2 1 459.727 3.346 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001303311960 1067841489 /nfs/dbraw/zinc/84/14/89/1067841489.db2.gz SDINGSMQBNWIJP-OAQYLSRUSA-N 2 1 491.478 3.085 20 0 JGADMP CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001303316542 1067843488 /nfs/dbraw/zinc/84/34/88/1067843488.db2.gz CZUMTTIEAXRLMT-HSZRJFAPSA-N 2 1 459.727 3.445 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304760084 1067845988 /nfs/dbraw/zinc/84/59/88/1067845988.db2.gz OJQVEDHZRPUKFA-OAQYLSRUSA-N 2 1 470.691 3.425 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304760084 1067845996 /nfs/dbraw/zinc/84/59/96/1067845996.db2.gz OJQVEDHZRPUKFA-OAQYLSRUSA-N 2 1 470.691 3.425 20 0 JGADMP CC(C)N1CC[NH+](C2CCN(c3nnc(CC4CC4)n3CC[NH+](C(C)C)C(C)C)CC2)CC1 ZINC001303318520 1067849615 /nfs/dbraw/zinc/84/96/15/1067849615.db2.gz TZFUYAWGXFEQCR-UHFFFAOYSA-N 2 1 459.727 3.344 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304765283 1067854934 /nfs/dbraw/zinc/85/49/34/1067854934.db2.gz XDVJEQJNTGSPPQ-HSZRJFAPSA-N 2 1 456.683 3.323 20 0 JGADMP Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCC[NH+](C)CCCNC(=O)OC(C)(C)C ZINC001304855712 1067906125 /nfs/dbraw/zinc/90/61/25/1067906125.db2.gz GNDSCUFOFUERMG-HXUWFJFHSA-N 2 1 477.698 3.134 20 0 JGADMP Cc1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304855712 1067906134 /nfs/dbraw/zinc/90/61/34/1067906134.db2.gz GNDSCUFOFUERMG-HXUWFJFHSA-N 2 1 477.698 3.134 20 0 JGADMP Cc1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001304855712 1067906140 /nfs/dbraw/zinc/90/61/40/1067906140.db2.gz GNDSCUFOFUERMG-HXUWFJFHSA-N 2 1 477.698 3.134 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303405292 1067933738 /nfs/dbraw/zinc/93/37/38/1067933738.db2.gz OPYUFAMFNIWHTF-QFIPXVFZSA-N 2 1 481.689 3.392 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304911988 1067955696 /nfs/dbraw/zinc/95/56/96/1067955696.db2.gz NQSAVONMJXEUNI-BHIFYINESA-N 2 1 476.710 3.433 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304911988 1067955701 /nfs/dbraw/zinc/95/57/01/1067955701.db2.gz NQSAVONMJXEUNI-BHIFYINESA-N 2 1 476.710 3.433 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304911988 1067955704 /nfs/dbraw/zinc/95/57/04/1067955704.db2.gz NQSAVONMJXEUNI-BHIFYINESA-N 2 1 476.710 3.433 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304911988 1067955708 /nfs/dbraw/zinc/95/57/08/1067955708.db2.gz NQSAVONMJXEUNI-BHIFYINESA-N 2 1 476.710 3.433 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001304916143 1067959747 /nfs/dbraw/zinc/95/97/47/1067959747.db2.gz DTQFJRJUIWZTRO-PSWAGMNNSA-N 2 1 467.706 3.465 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001304923671 1067965537 /nfs/dbraw/zinc/96/55/37/1067965537.db2.gz FGTLREBZHXNQTM-SFTDATJTSA-N 2 1 454.667 3.414 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001304924610 1067967734 /nfs/dbraw/zinc/96/77/34/1067967734.db2.gz IRXZMVULZWPSIP-SZPZYZBQSA-N 2 1 473.710 3.193 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001304924610 1067967736 /nfs/dbraw/zinc/96/77/36/1067967736.db2.gz IRXZMVULZWPSIP-SZPZYZBQSA-N 2 1 473.710 3.193 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001304924610 1067967738 /nfs/dbraw/zinc/96/77/38/1067967738.db2.gz IRXZMVULZWPSIP-SZPZYZBQSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001304925156 1067968139 /nfs/dbraw/zinc/96/81/39/1067968139.db2.gz LCHGAZLTOXQZHY-GOTSBHOMSA-N 2 1 487.737 3.439 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304925197 1067968452 /nfs/dbraw/zinc/96/84/52/1067968452.db2.gz LGOLRTJTQMINEK-WXFUMESZSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304925197 1067968456 /nfs/dbraw/zinc/96/84/56/1067968456.db2.gz LGOLRTJTQMINEK-WXFUMESZSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccnc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927226 1067972894 /nfs/dbraw/zinc/97/28/94/1067972894.db2.gz VVHUNTAQEVDPJT-MESAYYPLSA-N 2 1 469.678 3.254 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccnc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927226 1067972896 /nfs/dbraw/zinc/97/28/96/1067972896.db2.gz VVHUNTAQEVDPJT-MESAYYPLSA-N 2 1 469.678 3.254 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927226 1067972899 /nfs/dbraw/zinc/97/28/99/1067972899.db2.gz VVHUNTAQEVDPJT-MESAYYPLSA-N 2 1 469.678 3.254 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927226 1067972902 /nfs/dbraw/zinc/97/29/02/1067972902.db2.gz VVHUNTAQEVDPJT-MESAYYPLSA-N 2 1 469.678 3.254 20 0 JGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001304965182 1068007223 /nfs/dbraw/zinc/00/72/23/1068007223.db2.gz IMFCLLPAFUPERZ-ZRZAMGCNSA-N 2 1 459.727 3.347 20 0 JGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014297 1068055484 /nfs/dbraw/zinc/05/54/84/1068055484.db2.gz QMTYQPXOZJVICB-FCHUYYIVSA-N 2 1 455.651 3.009 20 0 JGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014300 1068055803 /nfs/dbraw/zinc/05/58/03/1068055803.db2.gz QMTYQPXOZJVICB-YADHBBJMSA-N 2 1 455.651 3.009 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001305024396 1068078359 /nfs/dbraw/zinc/07/83/59/1068078359.db2.gz YVUCPELJTZGXRK-RBBKRZOGSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305024396 1068078377 /nfs/dbraw/zinc/07/83/77/1068078377.db2.gz YVUCPELJTZGXRK-RBBKRZOGSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305024396 1068078393 /nfs/dbraw/zinc/07/83/93/1068078393.db2.gz YVUCPELJTZGXRK-RBBKRZOGSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025975 1068081431 /nfs/dbraw/zinc/08/14/31/1068081431.db2.gz VFKYGFWFVAPHRA-CQOQZXRMSA-N 2 1 454.663 3.378 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@H](C)C1 ZINC001305026931 1068083110 /nfs/dbraw/zinc/08/31/10/1068083110.db2.gz SCWSMLGNLCMERM-VXKWHMMOSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305026931 1068083119 /nfs/dbraw/zinc/08/31/19/1068083119.db2.gz SCWSMLGNLCMERM-VXKWHMMOSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026931 1068083135 /nfs/dbraw/zinc/08/31/35/1068083135.db2.gz SCWSMLGNLCMERM-VXKWHMMOSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@H]1CCC[N@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305046470 1068103869 /nfs/dbraw/zinc/10/38/69/1068103869.db2.gz JSJQLXGXQZCLCW-FQEVSTJZSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305046470 1068103877 /nfs/dbraw/zinc/10/38/77/1068103877.db2.gz JSJQLXGXQZCLCW-FQEVSTJZSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@H]1CCC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305046470 1068103882 /nfs/dbraw/zinc/10/38/82/1068103882.db2.gz JSJQLXGXQZCLCW-FQEVSTJZSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@H]1CCC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305046470 1068103888 /nfs/dbraw/zinc/10/38/88/1068103888.db2.gz JSJQLXGXQZCLCW-FQEVSTJZSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3ccsc3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305048157 1068107096 /nfs/dbraw/zinc/10/70/96/1068107096.db2.gz OHGIMOGUDWSJAY-PCCBWWKXSA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305048157 1068107100 /nfs/dbraw/zinc/10/71/00/1068107100.db2.gz OHGIMOGUDWSJAY-PCCBWWKXSA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305048157 1068107106 /nfs/dbraw/zinc/10/71/06/1068107106.db2.gz OHGIMOGUDWSJAY-PCCBWWKXSA-N 2 1 460.692 3.208 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305048157 1068107111 /nfs/dbraw/zinc/10/71/11/1068107111.db2.gz OHGIMOGUDWSJAY-PCCBWWKXSA-N 2 1 460.692 3.208 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001305053625 1068117522 /nfs/dbraw/zinc/11/75/22/1068117522.db2.gz ZDVOTTAAKJLSJT-NRFANRHFSA-N 2 1 488.702 3.001 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305053625 1068117525 /nfs/dbraw/zinc/11/75/25/1068117525.db2.gz ZDVOTTAAKJLSJT-NRFANRHFSA-N 2 1 488.702 3.001 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305053625 1068117529 /nfs/dbraw/zinc/11/75/29/1068117529.db2.gz ZDVOTTAAKJLSJT-NRFANRHFSA-N 2 1 488.702 3.001 20 0 JGADMP 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 1068180021 /nfs/dbraw/zinc/18/00/21/1068180021.db2.gz SVVXCCFLKVFFNG-RPWUZVMVSA-N 2 1 487.737 3.485 20 0 JGADMP 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 1068182919 /nfs/dbraw/zinc/18/29/19/1068182919.db2.gz CGUNWHUXDTWYFU-ZRBLBEILSA-N 2 1 489.753 3.068 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305113706 1068190557 /nfs/dbraw/zinc/19/05/57/1068190557.db2.gz VZTIVRRPUAFMTM-VXKWHMMOSA-N 2 1 469.678 3.072 20 0 JGADMP C[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303662533 1068193407 /nfs/dbraw/zinc/19/34/07/1068193407.db2.gz GPKXWUPNSKKJPE-NRFANRHFSA-N 2 1 459.683 3.089 20 0 JGADMP C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001305115654 1068194322 /nfs/dbraw/zinc/19/43/22/1068194322.db2.gz ZGZHARQYGFPUHS-VXKWHMMOSA-N 2 1 499.704 3.023 20 0 JGADMP 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 1068239616 /nfs/dbraw/zinc/23/96/16/1068239616.db2.gz WVVYAUDHHYJDLN-QRVBRYPASA-N 2 1 476.069 3.269 20 0 JGADMP C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC001303701969 1068246394 /nfs/dbraw/zinc/24/63/94/1068246394.db2.gz YRMJYWRIPXNZRR-RJGXRXQPSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC001303701969 1068246400 /nfs/dbraw/zinc/24/64/00/1068246400.db2.gz YRMJYWRIPXNZRR-RJGXRXQPSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001303701969 1068246411 /nfs/dbraw/zinc/24/64/11/1068246411.db2.gz YRMJYWRIPXNZRR-RJGXRXQPSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303701969 1068246416 /nfs/dbraw/zinc/24/64/16/1068246416.db2.gz YRMJYWRIPXNZRR-RJGXRXQPSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC001303705946 1068249982 /nfs/dbraw/zinc/24/99/82/1068249982.db2.gz PUPQMGFBIBDNLH-MIZPHKNDSA-N 2 1 450.635 3.118 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305153191 1068261293 /nfs/dbraw/zinc/26/12/93/1068261293.db2.gz XZCJBWBZCBRXBW-DENIHFKCSA-N 2 1 461.054 3.486 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305153191 1068261302 /nfs/dbraw/zinc/26/13/02/1068261302.db2.gz XZCJBWBZCBRXBW-DENIHFKCSA-N 2 1 461.054 3.486 20 0 JGADMP 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 1068278686 /nfs/dbraw/zinc/27/86/86/1068278686.db2.gz DLPSHEWPDIIYRT-BDTNDASRSA-N 2 1 459.727 3.344 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[N@H+](C)C1CC1 ZINC001303726448 1068278691 /nfs/dbraw/zinc/27/86/91/1068278691.db2.gz DLPSHEWPDIIYRT-BDTNDASRSA-N 2 1 459.727 3.344 20 0 JGADMP C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[N@@H+](C)C1CC1 ZINC001303726448 1068278695 /nfs/dbraw/zinc/27/86/95/1068278695.db2.gz DLPSHEWPDIIYRT-BDTNDASRSA-N 2 1 459.727 3.344 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC001303736664 1068295268 /nfs/dbraw/zinc/29/52/68/1068295268.db2.gz NBWUZEFSEBJGIZ-NJYVYQBISA-N 2 1 487.718 3.311 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001303738134 1068297196 /nfs/dbraw/zinc/29/71/96/1068297196.db2.gz VRRKRSNXNJLJHU-GOSISDBHSA-N 2 1 473.691 3.063 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303738134 1068297207 /nfs/dbraw/zinc/29/72/07/1068297207.db2.gz VRRKRSNXNJLJHU-GOSISDBHSA-N 2 1 473.691 3.063 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303738134 1068297217 /nfs/dbraw/zinc/29/72/17/1068297217.db2.gz VRRKRSNXNJLJHU-GOSISDBHSA-N 2 1 473.691 3.063 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752813 1068314206 /nfs/dbraw/zinc/31/42/06/1068314206.db2.gz UDBJGQJIRLQULW-BKMJKUGQSA-N 2 1 476.710 3.361 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C[NH+]1CCCCC1 ZINC001303753715 1068315958 /nfs/dbraw/zinc/31/59/58/1068315958.db2.gz OQVAOMPEBBKFEN-QHCPKHFHSA-N 2 1 487.737 3.123 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C[NH+]1CCCCC1 ZINC001303753715 1068315978 /nfs/dbraw/zinc/31/59/78/1068315978.db2.gz OQVAOMPEBBKFEN-QHCPKHFHSA-N 2 1 487.737 3.123 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001305204042 1068327922 /nfs/dbraw/zinc/32/79/22/1068327922.db2.gz MRLJSIZLRWVSCO-DEOSSOPVSA-N 2 1 497.732 3.377 20 0 JGADMP C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001305210179 1068339323 /nfs/dbraw/zinc/33/93/23/1068339323.db2.gz PLIUWGKBJYKHNX-LJQANCHMSA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303902136 1068545258 /nfs/dbraw/zinc/54/52/58/1068545258.db2.gz LZNLGFILOLIKGX-REWPJTCUSA-N 2 1 474.625 3.198 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303902136 1068545276 /nfs/dbraw/zinc/54/52/76/1068545276.db2.gz LZNLGFILOLIKGX-REWPJTCUSA-N 2 1 474.625 3.198 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305378463 1068631069 /nfs/dbraw/zinc/63/10/69/1068631069.db2.gz WHUOHAWRVPPCHU-AUSIDOKSSA-N 2 1 452.713 3.024 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305412985 1068651962 /nfs/dbraw/zinc/65/19/62/1068651962.db2.gz SBGAMXSJVJOJMI-MPJJRAAHSA-N 2 1 487.718 3.145 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305412986 1068651982 /nfs/dbraw/zinc/65/19/82/1068651982.db2.gz SBGAMXSJVJOJMI-SEIRJHJZSA-N 2 1 487.718 3.145 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305504009 1068738992 /nfs/dbraw/zinc/73/89/92/1068738992.db2.gz GZOIHIRHJWPQLO-UPVQGACJSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305504009 1068739003 /nfs/dbraw/zinc/73/90/03/1068739003.db2.gz GZOIHIRHJWPQLO-UPVQGACJSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538442 1068803178 /nfs/dbraw/zinc/80/31/78/1068803178.db2.gz WRQYWTKCRLHFDM-NHCUHLMSSA-N 2 1 476.710 3.371 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001305603147 1068866974 /nfs/dbraw/zinc/86/69/74/1068866974.db2.gz IHWQNFVAIUCDSJ-HXUWFJFHSA-N 2 1 468.650 3.110 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609208 1068881100 /nfs/dbraw/zinc/88/11/00/1068881100.db2.gz SAEYSRSRYHONGA-ISKFKSNPSA-N 2 1 483.705 3.289 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001305612193 1068887719 /nfs/dbraw/zinc/88/77/19/1068887719.db2.gz PAVAEVPADRLTKO-HXUWFJFHSA-N 2 1 451.619 3.334 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001305612193 1068887732 /nfs/dbraw/zinc/88/77/32/1068887732.db2.gz PAVAEVPADRLTKO-HXUWFJFHSA-N 2 1 451.619 3.334 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617091 1068897919 /nfs/dbraw/zinc/89/79/19/1068897919.db2.gz JXVRVJUFXNACFI-NFBKMPQASA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001305617091 1068897922 /nfs/dbraw/zinc/89/79/22/1068897922.db2.gz JXVRVJUFXNACFI-NFBKMPQASA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001305617091 1068897928 /nfs/dbraw/zinc/89/79/28/1068897928.db2.gz JXVRVJUFXNACFI-NFBKMPQASA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001305617091 1068897937 /nfs/dbraw/zinc/89/79/37/1068897937.db2.gz JXVRVJUFXNACFI-NFBKMPQASA-N 2 1 486.661 3.068 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305617439 1068898022 /nfs/dbraw/zinc/89/80/22/1068898022.db2.gz HNOGDVOHMKVCGO-IRLDBZIGSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305617439 1068898035 /nfs/dbraw/zinc/89/80/35/1068898035.db2.gz HNOGDVOHMKVCGO-IRLDBZIGSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001305622455 1068911081 /nfs/dbraw/zinc/91/10/81/1068911081.db2.gz RGTIPWGPMOLLQB-WOJBJXKFSA-N 2 1 473.691 3.065 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658699 1068998467 /nfs/dbraw/zinc/99/84/67/1068998467.db2.gz FXDKRHUWLZDPNE-AOHZBQACSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001305658699 1068998474 /nfs/dbraw/zinc/99/84/74/1068998474.db2.gz FXDKRHUWLZDPNE-AOHZBQACSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001305673186 1069022888 /nfs/dbraw/zinc/02/28/88/1069022888.db2.gz QXOJNQZQAQWJCY-GPXOXTDOSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001305673186 1069022900 /nfs/dbraw/zinc/02/29/00/1069022900.db2.gz QXOJNQZQAQWJCY-GPXOXTDOSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001305673186 1069022907 /nfs/dbraw/zinc/02/29/07/1069022907.db2.gz QXOJNQZQAQWJCY-GPXOXTDOSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001305673189 1069022971 /nfs/dbraw/zinc/02/29/71/1069022971.db2.gz QXOJNQZQAQWJCY-QLBJFCOMSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001305673189 1069022982 /nfs/dbraw/zinc/02/29/82/1069022982.db2.gz QXOJNQZQAQWJCY-QLBJFCOMSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001305673189 1069022997 /nfs/dbraw/zinc/02/29/97/1069022997.db2.gz QXOJNQZQAQWJCY-QLBJFCOMSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001305676214 1069029435 /nfs/dbraw/zinc/02/94/35/1069029435.db2.gz GDZFVBFRLOYCKB-RDGATRHJSA-N 2 1 472.703 3.026 20 0 JGADMP CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001305710902 1069108852 /nfs/dbraw/zinc/10/88/52/1069108852.db2.gz XQPGCLYEYYJPGJ-LOSJGSFVSA-N 2 1 495.716 3.363 20 0 JGADMP CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714230 1069117143 /nfs/dbraw/zinc/11/71/43/1069117143.db2.gz ZWPNSGHSPHVCAF-FCHUYYIVSA-N 2 1 459.683 3.050 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305715626 1069121068 /nfs/dbraw/zinc/12/10/68/1069121068.db2.gz NGGKDAQJIZIHKH-ACIOBRDBSA-N 2 1 462.683 3.187 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001305718731 1069126653 /nfs/dbraw/zinc/12/66/53/1069126653.db2.gz ZYWXXFLTORWZCT-UDIDDNNKSA-N 2 1 462.683 3.043 20 0 JGADMP 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 1069159134 /nfs/dbraw/zinc/15/91/34/1069159134.db2.gz AXXFISWTOBPCJF-BDTNDASRSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001305736659 1069159139 /nfs/dbraw/zinc/15/91/39/1069159139.db2.gz AXXFISWTOBPCJF-BDTNDASRSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001305736659 1069159146 /nfs/dbraw/zinc/15/91/46/1069159146.db2.gz AXXFISWTOBPCJF-BDTNDASRSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305738040 1069161507 /nfs/dbraw/zinc/16/15/07/1069161507.db2.gz KUVIAELVUGXLKO-UXHICEINSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305738040 1069161514 /nfs/dbraw/zinc/16/15/14/1069161514.db2.gz KUVIAELVUGXLKO-UXHICEINSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305738040 1069161522 /nfs/dbraw/zinc/16/15/22/1069161522.db2.gz KUVIAELVUGXLKO-UXHICEINSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744089 1069182530 /nfs/dbraw/zinc/18/25/30/1069182530.db2.gz ZTSHTHPOKHEVMM-NHCUHLMSSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744092 1069182571 /nfs/dbraw/zinc/18/25/71/1069182571.db2.gz ZTSHTHPOKHEVMM-RTWAWAEBSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001305785749 1069287601 /nfs/dbraw/zinc/28/76/01/1069287601.db2.gz KJTRFMCQBVLOCL-OAQYLSRUSA-N 2 1 461.699 3.095 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164417986 718892557 /nfs/dbraw/zinc/89/25/57/718892557.db2.gz MJVHEYIMVOPXBD-WMZHIEFXSA-N 2 1 457.663 3.239 20 0 JGADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620355 719008422 /nfs/dbraw/zinc/00/84/22/719008422.db2.gz YNRBQYPTXDHVFR-CUBQBAPOSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620355 719008428 /nfs/dbraw/zinc/00/84/28/719008428.db2.gz YNRBQYPTXDHVFR-CUBQBAPOSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617097 719017483 /nfs/dbraw/zinc/01/74/83/719017483.db2.gz MBPQRPJTZRENMY-YTQUADARSA-N 2 1 469.655 3.286 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1CC[NH2+]C2 ZINC001164686179 719611085 /nfs/dbraw/zinc/61/10/85/719611085.db2.gz YYEXMXHRLVNORS-UHFFFAOYSA-N 2 1 466.033 3.360 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1CC[NH2+]C2 ZINC001164686179 719611092 /nfs/dbraw/zinc/61/10/92/719611092.db2.gz YYEXMXHRLVNORS-UHFFFAOYSA-N 2 1 466.033 3.360 20 0 JGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164713854 720156820 /nfs/dbraw/zinc/15/68/20/720156820.db2.gz MCGSUWCNFKLFMX-DEOSSOPVSA-N 2 1 465.642 3.363 20 0 JGADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833002 720323210 /nfs/dbraw/zinc/32/32/10/720323210.db2.gz VJOFXZVGUULTRT-DNQXCXABSA-N 2 1 458.610 3.391 20 0 JGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833001 720323328 /nfs/dbraw/zinc/32/33/28/720323328.db2.gz VJOFXZVGUULTRT-BJKOFHAPSA-N 2 1 458.610 3.391 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164729291 720415907 /nfs/dbraw/zinc/41/59/07/720415907.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[NH+]3Cc2cccnc2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164729291 720415919 /nfs/dbraw/zinc/41/59/19/720415919.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CC[NH+]3Cc2cccnc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164729291 720415929 /nfs/dbraw/zinc/41/59/29/720415929.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 2 1 492.668 3.129 20 0 JGADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739770 720824842 /nfs/dbraw/zinc/82/48/42/720824842.db2.gz IKJZAPIYOVXLOC-FKCDAAJZSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739770 720824844 /nfs/dbraw/zinc/82/48/44/720824844.db2.gz IKJZAPIYOVXLOC-FKCDAAJZSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739770 720824847 /nfs/dbraw/zinc/82/48/47/720824847.db2.gz IKJZAPIYOVXLOC-FKCDAAJZSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739770 720824850 /nfs/dbraw/zinc/82/48/50/720824850.db2.gz IKJZAPIYOVXLOC-FKCDAAJZSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739774 720825030 /nfs/dbraw/zinc/82/50/30/720825030.db2.gz IKJZAPIYOVXLOC-ONBPZOJHSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739774 720825031 /nfs/dbraw/zinc/82/50/31/720825031.db2.gz IKJZAPIYOVXLOC-ONBPZOJHSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739774 720825033 /nfs/dbraw/zinc/82/50/33/720825033.db2.gz IKJZAPIYOVXLOC-ONBPZOJHSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739774 720825035 /nfs/dbraw/zinc/82/50/35/720825035.db2.gz IKJZAPIYOVXLOC-ONBPZOJHSA-N 2 1 484.652 3.006 20 0 JGADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747228 720867264 /nfs/dbraw/zinc/86/72/64/720867264.db2.gz ATIPPAMBYQUZHV-BVAGGSTKSA-N 2 1 450.631 3.391 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757905 720893179 /nfs/dbraw/zinc/89/31/79/720893179.db2.gz WHRZWWAURURJCK-WNCULLNHSA-N 2 1 476.625 3.228 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757905 720893180 /nfs/dbraw/zinc/89/31/80/720893180.db2.gz WHRZWWAURURJCK-WNCULLNHSA-N 2 1 476.625 3.228 20 0 JGADMP CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755696 720897979 /nfs/dbraw/zinc/89/79/79/720897979.db2.gz MQOFTGZHEAIJST-RBJSKKJNSA-N 2 1 492.668 3.026 20 0 JGADMP CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(N2CCOCC2)[nH+]1 ZINC001164755696 720897983 /nfs/dbraw/zinc/89/79/83/720897983.db2.gz MQOFTGZHEAIJST-RBJSKKJNSA-N 2 1 492.668 3.026 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2c1C ZINC001164754211 720964193 /nfs/dbraw/zinc/96/41/93/720964193.db2.gz OYPWVKNRHMBXJL-UHFFFAOYSA-N 2 1 497.669 3.136 20 0 JGADMP CCc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164905577 721713650 /nfs/dbraw/zinc/71/36/50/721713650.db2.gz HROQZKPRYCNISZ-QHCPKHFHSA-N 2 1 458.557 3.008 20 0 JGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2)cc1 ZINC001164939048 721932477 /nfs/dbraw/zinc/93/24/77/721932477.db2.gz HXCJOVANPVBCEB-UHFFFAOYSA-N 2 1 451.615 3.035 20 0 JGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950681 721991592 /nfs/dbraw/zinc/99/15/92/721991592.db2.gz JSEVEXFZRCPSBJ-KIFXHHALSA-N 2 1 462.660 3.228 20 0 JGADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)CC1 ZINC001164966032 722061466 /nfs/dbraw/zinc/06/14/66/722061466.db2.gz NQCSLCXWAZCJEJ-UHFFFAOYSA-N 3 1 451.615 3.069 20 0 JGADMP C[NH+]1CCC(Oc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)CC1 ZINC001164966032 722061467 /nfs/dbraw/zinc/06/14/67/722061467.db2.gz NQCSLCXWAZCJEJ-UHFFFAOYSA-N 2 1 451.615 3.069 20 0 JGADMP C[NH+]1CCC(Oc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)CC1 ZINC001164966032 722061470 /nfs/dbraw/zinc/06/14/70/722061470.db2.gz NQCSLCXWAZCJEJ-UHFFFAOYSA-N 2 1 451.615 3.069 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001298236592 1064142133 /nfs/dbraw/zinc/14/21/33/1064142133.db2.gz XWMKFYBQFCMQFY-NRFANRHFSA-N 2 1 485.702 3.443 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001299990282 1065293902 /nfs/dbraw/zinc/29/39/02/1065293902.db2.gz GBTFBXWPDIDRSZ-NRFANRHFSA-N 2 1 463.630 3.238 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492267193 1065362932 /nfs/dbraw/zinc/36/29/32/1065362932.db2.gz PQSMFDRGYKJSGG-GHTZIAJQSA-N 2 1 467.662 3.408 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352896 1065414742 /nfs/dbraw/zinc/41/47/42/1065414742.db2.gz RGXPHBNJALRTDD-WNCULLNHSA-N 2 1 484.689 3.443 20 0 JGADMP Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001492454716 1065505630 /nfs/dbraw/zinc/50/56/30/1065505630.db2.gz ZAKKDWQVANNCKQ-SFTDATJTSA-N 2 1 458.676 3.130 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302026039 1066385895 /nfs/dbraw/zinc/38/58/95/1066385895.db2.gz VWQHQKPFPQTIQY-YADHBBJMSA-N 2 1 462.683 3.189 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302030866 1066396018 /nfs/dbraw/zinc/39/60/18/1066396018.db2.gz YUYNKPJHCXERLW-TZIWHRDSSA-N 2 1 450.672 3.089 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302065903 1066465557 /nfs/dbraw/zinc/46/55/57/1066465557.db2.gz AALNLGMPALIRRI-FCHUYYIVSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001302065903 1066465561 /nfs/dbraw/zinc/46/55/61/1066465561.db2.gz AALNLGMPALIRRI-FCHUYYIVSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001302065903 1066465566 /nfs/dbraw/zinc/46/55/66/1066465566.db2.gz AALNLGMPALIRRI-FCHUYYIVSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302067723 1066470137 /nfs/dbraw/zinc/47/01/37/1066470137.db2.gz JPSLAQBEJRQCLX-NRFANRHFSA-N 2 1 450.672 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302091646 1066519182 /nfs/dbraw/zinc/51/91/82/1066519182.db2.gz FWSIJLAIHWBZKG-BHDDXSALSA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302092750 1066520712 /nfs/dbraw/zinc/52/07/12/1066520712.db2.gz JRZULZQUGQIGDG-VXKWHMMOSA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093890 1066521887 /nfs/dbraw/zinc/52/18/87/1066521887.db2.gz XRGIEVMEKLHTEK-VJBWXMMDSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001302093890 1066521895 /nfs/dbraw/zinc/52/18/95/1066521895.db2.gz XRGIEVMEKLHTEK-VJBWXMMDSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001302093890 1066521902 /nfs/dbraw/zinc/52/19/02/1066521902.db2.gz XRGIEVMEKLHTEK-VJBWXMMDSA-N 2 1 462.683 3.045 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001301718022 1066619894 /nfs/dbraw/zinc/61/98/94/1066619894.db2.gz ZDUXSSNAZMNHRJ-HXUWFJFHSA-N 2 1 491.080 3.256 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001301718022 1066619904 /nfs/dbraw/zinc/61/99/04/1066619904.db2.gz ZDUXSSNAZMNHRJ-HXUWFJFHSA-N 2 1 491.080 3.256 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001301718022 1066619912 /nfs/dbraw/zinc/61/99/12/1066619912.db2.gz ZDUXSSNAZMNHRJ-HXUWFJFHSA-N 2 1 491.080 3.256 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001301717973 1066619969 /nfs/dbraw/zinc/61/99/69/1066619969.db2.gz XWUGXKUHIVYEJT-UHFFFAOYSA-N 2 1 465.646 3.382 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001301717973 1066619979 /nfs/dbraw/zinc/61/99/79/1066619979.db2.gz XWUGXKUHIVYEJT-UHFFFAOYSA-N 2 1 465.646 3.382 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001301717973 1066619984 /nfs/dbraw/zinc/61/99/84/1066619984.db2.gz XWUGXKUHIVYEJT-UHFFFAOYSA-N 2 1 465.646 3.382 20 0 JGADMP COCC[N@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001301726891 1066643815 /nfs/dbraw/zinc/64/38/15/1066643815.db2.gz WYFULAOQJBPGFF-HHHXNRCGSA-N 2 1 484.689 3.122 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001301726891 1066643818 /nfs/dbraw/zinc/64/38/18/1066643818.db2.gz WYFULAOQJBPGFF-HHHXNRCGSA-N 2 1 484.689 3.122 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301731018 1066650703 /nfs/dbraw/zinc/65/07/03/1066650703.db2.gz IWDBYMYSCNTNAE-XZOQPEGZSA-N 2 1 462.683 3.190 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301732082 1066651314 /nfs/dbraw/zinc/65/13/14/1066651314.db2.gz QNSAFVHATKYELZ-QHCPKHFHSA-N 2 1 462.683 3.190 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001301732081 1066651352 /nfs/dbraw/zinc/65/13/52/1066651352.db2.gz QNSAFVHATKYELZ-HSZRJFAPSA-N 2 1 462.683 3.190 20 0 JGADMP COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301733727 1066654606 /nfs/dbraw/zinc/65/46/06/1066654606.db2.gz IIERMCJCASXSMI-UHFFFAOYSA-N 2 1 464.605 3.036 20 0 JGADMP COCC[NH+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301733727 1066654610 /nfs/dbraw/zinc/65/46/10/1066654610.db2.gz IIERMCJCASXSMI-UHFFFAOYSA-N 2 1 464.605 3.036 20 0 JGADMP COCC[NH+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301733727 1066654612 /nfs/dbraw/zinc/65/46/12/1066654612.db2.gz IIERMCJCASXSMI-UHFFFAOYSA-N 2 1 464.605 3.036 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)n1CC[N@@H+](C)C(C)C ZINC001302282582 1066852194 /nfs/dbraw/zinc/85/21/94/1066852194.db2.gz FBQPNGVOOCQUFJ-HVCNVCAESA-N 2 1 484.689 3.443 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC[NH+](C)C(C)C ZINC001302282582 1066852197 /nfs/dbraw/zinc/85/21/97/1066852197.db2.gz FBQPNGVOOCQUFJ-HVCNVCAESA-N 2 1 484.689 3.443 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC[NH+](C)C(C)C ZINC001302282582 1066852199 /nfs/dbraw/zinc/85/21/99/1066852199.db2.gz FBQPNGVOOCQUFJ-HVCNVCAESA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001301877666 1066879450 /nfs/dbraw/zinc/87/94/50/1066879450.db2.gz PRKMWRMZLDHUFS-HXUWFJFHSA-N 2 1 477.053 3.326 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302303761 1066890799 /nfs/dbraw/zinc/89/07/99/1066890799.db2.gz LFYAWPKZLVCOPP-VJBWXMMDSA-N 2 1 462.683 3.043 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001302303761 1066890808 /nfs/dbraw/zinc/89/08/08/1066890808.db2.gz LFYAWPKZLVCOPP-VJBWXMMDSA-N 2 1 462.683 3.043 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001302303761 1066890820 /nfs/dbraw/zinc/89/08/20/1066890820.db2.gz LFYAWPKZLVCOPP-VJBWXMMDSA-N 2 1 462.683 3.043 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301883692 1066892343 /nfs/dbraw/zinc/89/23/43/1066892343.db2.gz ZUURNPSETZHVAI-LJQANCHMSA-N 2 1 491.478 3.208 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301883692 1066892350 /nfs/dbraw/zinc/89/23/50/1066892350.db2.gz ZUURNPSETZHVAI-LJQANCHMSA-N 2 1 491.478 3.208 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301885311 1066894319 /nfs/dbraw/zinc/89/43/19/1066894319.db2.gz IPERQWAEFWWQQU-OAQYLSRUSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301885311 1066894323 /nfs/dbraw/zinc/89/43/23/1066894323.db2.gz IPERQWAEFWWQQU-OAQYLSRUSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301885311 1066894331 /nfs/dbraw/zinc/89/43/31/1066894331.db2.gz IPERQWAEFWWQQU-OAQYLSRUSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301886449 1066897280 /nfs/dbraw/zinc/89/72/80/1066897280.db2.gz XJVCDADLDQQXTK-FGZHOGPDSA-N 2 1 484.689 3.479 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001301887319 1066900881 /nfs/dbraw/zinc/90/08/81/1066900881.db2.gz IWAWGEYQUSRGQQ-QFIPXVFZSA-N 2 1 484.048 3.373 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CC[N@@H+](C)C(C)C ZINC001302311905 1066906325 /nfs/dbraw/zinc/90/63/25/1066906325.db2.gz OJJVRIALERLREY-NHTMILBNSA-N 2 1 470.662 3.053 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC[NH+](C)C(C)C ZINC001302311905 1066906334 /nfs/dbraw/zinc/90/63/34/1066906334.db2.gz OJJVRIALERLREY-NHTMILBNSA-N 2 1 470.662 3.053 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC[NH+](C)C(C)C ZINC001302311905 1066906338 /nfs/dbraw/zinc/90/63/38/1066906338.db2.gz OJJVRIALERLREY-NHTMILBNSA-N 2 1 470.662 3.053 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001301889471 1066907718 /nfs/dbraw/zinc/90/77/18/1066907718.db2.gz ZNAAOTMOEGIBNK-YLJYHZDGSA-N 2 1 458.632 3.368 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001301891589 1066912212 /nfs/dbraw/zinc/91/22/12/1066912212.db2.gz RCENAPZOVMXSFE-OAQYLSRUSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001301891589 1066912220 /nfs/dbraw/zinc/91/22/20/1066912220.db2.gz RCENAPZOVMXSFE-OAQYLSRUSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001301891589 1066912225 /nfs/dbraw/zinc/91/22/25/1066912225.db2.gz RCENAPZOVMXSFE-OAQYLSRUSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001301892972 1066914195 /nfs/dbraw/zinc/91/41/95/1066914195.db2.gz XZOTWXIHWZKCQA-GOTSBHOMSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892972 1066914203 /nfs/dbraw/zinc/91/42/03/1066914203.db2.gz XZOTWXIHWZKCQA-GOTSBHOMSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892972 1066914210 /nfs/dbraw/zinc/91/42/10/1066914210.db2.gz XZOTWXIHWZKCQA-GOTSBHOMSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001301893055 1066914386 /nfs/dbraw/zinc/91/43/86/1066914386.db2.gz ZVTCPYMBDBOWMK-CTNGQTDRSA-N 2 1 454.644 3.466 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001301897258 1066921309 /nfs/dbraw/zinc/92/13/09/1066921309.db2.gz VJLVFDSGCXWLSR-OAQYLSRUSA-N 2 1 458.626 3.221 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301897258 1066921319 /nfs/dbraw/zinc/92/13/19/1066921319.db2.gz VJLVFDSGCXWLSR-OAQYLSRUSA-N 2 1 458.626 3.221 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001301897214 1066921440 /nfs/dbraw/zinc/92/14/40/1066921440.db2.gz ULPBMIRYOYKTNL-FQEVSTJZSA-N 2 1 458.994 3.263 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H]1C ZINC001301900105 1066924547 /nfs/dbraw/zinc/92/45/47/1066924547.db2.gz XBDMIUOTFOXQMM-GCJKJVERSA-N 2 1 472.037 3.386 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC001301909986 1066934029 /nfs/dbraw/zinc/93/40/29/1066934029.db2.gz AYXIIOZNIPVQBE-UPVQGACJSA-N 2 1 476.710 3.435 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940805 /nfs/dbraw/zinc/94/08/05/1066940805.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940811 /nfs/dbraw/zinc/94/08/11/1066940811.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940823 /nfs/dbraw/zinc/94/08/23/1066940823.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066941009 /nfs/dbraw/zinc/94/10/09/1066941009.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066941022 /nfs/dbraw/zinc/94/10/22/1066941022.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066941031 /nfs/dbraw/zinc/94/10/31/1066941031.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301915027 1066944466 /nfs/dbraw/zinc/94/44/66/1066944466.db2.gz RSXGDCMVPRCAHF-XPWALMASSA-N 2 1 462.683 3.046 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301915027 1066944475 /nfs/dbraw/zinc/94/44/75/1066944475.db2.gz RSXGDCMVPRCAHF-XPWALMASSA-N 2 1 462.683 3.046 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301918296 1066947899 /nfs/dbraw/zinc/94/78/99/1066947899.db2.gz HBDBXWKMPYGEJY-DHLKQENFSA-N 2 1 477.657 3.032 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301918298 1066948347 /nfs/dbraw/zinc/94/83/47/1066948347.db2.gz HBDBXWKMPYGEJY-RDGATRHJSA-N 2 1 477.657 3.032 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301918645 1066949738 /nfs/dbraw/zinc/94/97/38/1066949738.db2.gz IQYFGSZJUGNFKU-WOJBJXKFSA-N 2 1 489.734 3.159 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001301918771 1066949800 /nfs/dbraw/zinc/94/98/00/1066949800.db2.gz COFSZEDUYIPWPX-QHCPKHFHSA-N 2 1 454.663 3.210 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301919170 1066950843 /nfs/dbraw/zinc/95/08/43/1066950843.db2.gz FROPLTCNHLXBAT-NRFANRHFSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301919170 1066950852 /nfs/dbraw/zinc/95/08/52/1066950852.db2.gz FROPLTCNHLXBAT-NRFANRHFSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301919170 1066950859 /nfs/dbraw/zinc/95/08/59/1066950859.db2.gz FROPLTCNHLXBAT-NRFANRHFSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301919171 1066950918 /nfs/dbraw/zinc/95/09/18/1066950918.db2.gz FROPLTCNHLXBAT-OAQYLSRUSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301919171 1066950929 /nfs/dbraw/zinc/95/09/29/1066950929.db2.gz FROPLTCNHLXBAT-OAQYLSRUSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001301919171 1066950934 /nfs/dbraw/zinc/95/09/34/1066950934.db2.gz FROPLTCNHLXBAT-OAQYLSRUSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301921254 1066954571 /nfs/dbraw/zinc/95/45/71/1066954571.db2.gz RXUBCMMHMSCKPV-YADHBBJMSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926999 1066960677 /nfs/dbraw/zinc/96/06/77/1066960677.db2.gz RSHFHUFUBQVVCC-UPVQGACJSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926999 1066960689 /nfs/dbraw/zinc/96/06/89/1066960689.db2.gz RSHFHUFUBQVVCC-UPVQGACJSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926999 1066960700 /nfs/dbraw/zinc/96/07/00/1066960700.db2.gz RSHFHUFUBQVVCC-UPVQGACJSA-N 2 1 484.689 3.177 20 0 JGADMP CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001302573609 1067212731 /nfs/dbraw/zinc/21/27/31/1067212731.db2.gz SCFQCFCMVOMTNI-UHFFFAOYSA-N 2 1 468.690 3.295 20 0 JGADMP CSC1(Cn2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001302632328 1067261037 /nfs/dbraw/zinc/26/10/37/1067261037.db2.gz BRZKELJOWWPEDY-UHFFFAOYSA-N 2 1 491.794 3.398 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302688354 1067312704 /nfs/dbraw/zinc/31/27/04/1067312704.db2.gz BKWDQCFRMGSAKR-HSZRJFAPSA-N 2 1 484.689 3.085 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302688354 1067312714 /nfs/dbraw/zinc/31/27/14/1067312714.db2.gz BKWDQCFRMGSAKR-HSZRJFAPSA-N 2 1 484.689 3.085 20 0 JGADMP CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302689671 1067314065 /nfs/dbraw/zinc/31/40/65/1067314065.db2.gz OWDDLTGRPFBFMY-JOCHJYFZSA-N 2 1 484.689 3.274 20 0 JGADMP Cc1ccc([C@H](Cn2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304278087 1067317286 /nfs/dbraw/zinc/31/72/86/1067317286.db2.gz JVQOUWHCCJZPOU-GMAHTHKFSA-N 2 1 454.663 3.345 20 0 JGADMP Cc1ccc([C@@H](Cn2c(N3CC[C@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304278083 1067317376 /nfs/dbraw/zinc/31/73/76/1067317376.db2.gz JVQOUWHCCJZPOU-FYYLOGMGSA-N 2 1 454.663 3.345 20 0 JGADMP 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 1067400779 /nfs/dbraw/zinc/40/07/79/1067400779.db2.gz YUDGTFVGSUJFJX-ZRBLBEILSA-N 2 1 470.710 3.244 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001304403437 1067465744 /nfs/dbraw/zinc/46/57/44/1067465744.db2.gz IWDICZIEWLPVJJ-RJGXRXQPSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001304403437 1067465752 /nfs/dbraw/zinc/46/57/52/1067465752.db2.gz IWDICZIEWLPVJJ-RJGXRXQPSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cc1 ZINC001304403437 1067465755 /nfs/dbraw/zinc/46/57/55/1067465755.db2.gz IWDICZIEWLPVJJ-RJGXRXQPSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cc1 ZINC001304403437 1067465765 /nfs/dbraw/zinc/46/57/65/1067465765.db2.gz IWDICZIEWLPVJJ-RJGXRXQPSA-N 2 1 470.662 3.195 20 0 JGADMP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001302899354 1067481636 /nfs/dbraw/zinc/48/16/36/1067481636.db2.gz IPGNPVGNFUJUES-RUZDIDTESA-N 2 1 485.696 3.352 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302901505 1067485438 /nfs/dbraw/zinc/48/54/38/1067485438.db2.gz KQZGDUITHKGDGC-KDURUIRLSA-N 2 1 491.478 3.349 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Br)c3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302901505 1067485443 /nfs/dbraw/zinc/48/54/43/1067485443.db2.gz KQZGDUITHKGDGC-KDURUIRLSA-N 2 1 491.478 3.349 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304419695 1067494547 /nfs/dbraw/zinc/49/45/47/1067494547.db2.gz OZCTUHRLENYULG-VWLOTQADSA-N 2 1 484.689 3.300 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001302937057 1067510219 /nfs/dbraw/zinc/51/02/19/1067510219.db2.gz HWZQOUPRTJVGKQ-NRFANRHFSA-N 2 1 470.691 3.287 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302957853 1067529339 /nfs/dbraw/zinc/52/93/39/1067529339.db2.gz VPZVXKMVMHJYQA-QFIPXVFZSA-N 2 1 459.727 3.061 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302957853 1067529345 /nfs/dbraw/zinc/52/93/45/1067529345.db2.gz VPZVXKMVMHJYQA-QFIPXVFZSA-N 2 1 459.727 3.061 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302957853 1067529350 /nfs/dbraw/zinc/52/93/50/1067529350.db2.gz VPZVXKMVMHJYQA-QFIPXVFZSA-N 2 1 459.727 3.061 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001302961109 1067532187 /nfs/dbraw/zinc/53/21/87/1067532187.db2.gz INCPEWIALRHVRB-LADGPHEKSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001302961109 1067532196 /nfs/dbraw/zinc/53/21/96/1067532196.db2.gz INCPEWIALRHVRB-LADGPHEKSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001302961109 1067532203 /nfs/dbraw/zinc/53/22/03/1067532203.db2.gz INCPEWIALRHVRB-LADGPHEKSA-N 2 1 454.663 3.034 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001304459651 1067539001 /nfs/dbraw/zinc/53/90/01/1067539001.db2.gz KDQLDUTWOIDBHF-JOCHJYFZSA-N 2 1 469.678 3.460 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001304459651 1067539007 /nfs/dbraw/zinc/53/90/07/1067539007.db2.gz KDQLDUTWOIDBHF-JOCHJYFZSA-N 2 1 469.678 3.460 20 0 JGADMP Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464103 1067542172 /nfs/dbraw/zinc/54/21/72/1067542172.db2.gz JAKPATVYWJJIRF-ZJSXRUAMSA-N 2 1 469.678 3.314 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001304478633 1067557622 /nfs/dbraw/zinc/55/76/22/1067557622.db2.gz DJGZUUVHZPAEHU-XMMPIXPASA-N 2 1 457.692 3.396 20 0 JGADMP CC(C)CC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001303090562 1067627100 /nfs/dbraw/zinc/62/71/00/1067627100.db2.gz XLBRVSWUUJBPQK-UHFFFAOYSA-N 2 1 454.667 3.414 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[NH+]2CCC(C)CC2)cs1 ZINC001304648825 1067716820 /nfs/dbraw/zinc/71/68/20/1067716820.db2.gz QELXSGQEIIXDFS-UHFFFAOYSA-N 2 1 489.734 3.160 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001304667920 1067736297 /nfs/dbraw/zinc/73/62/97/1067736297.db2.gz LINNQYLUEXSQID-HXUWFJFHSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCO[C@H](C)C2)cs1 ZINC001304667920 1067736303 /nfs/dbraw/zinc/73/63/03/1067736303.db2.gz LINNQYLUEXSQID-HXUWFJFHSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCO[C@H](C)C2)cs1 ZINC001304667920 1067736312 /nfs/dbraw/zinc/73/63/12/1067736312.db2.gz LINNQYLUEXSQID-HXUWFJFHSA-N 2 1 489.734 3.445 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200613 1067736518 /nfs/dbraw/zinc/73/65/18/1067736518.db2.gz CWNVSCIFDRTGQY-ZEQRLZLVSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200613 1067736522 /nfs/dbraw/zinc/73/65/22/1067736522.db2.gz CWNVSCIFDRTGQY-ZEQRLZLVSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200613 1067736528 /nfs/dbraw/zinc/73/65/28/1067736528.db2.gz CWNVSCIFDRTGQY-ZEQRLZLVSA-N 2 1 454.663 3.469 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001304673781 1067743924 /nfs/dbraw/zinc/74/39/24/1067743924.db2.gz BDIOSRHMVGRUPB-UHFFFAOYSA-N 2 1 489.734 3.303 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001304673781 1067743931 /nfs/dbraw/zinc/74/39/31/1067743931.db2.gz BDIOSRHMVGRUPB-UHFFFAOYSA-N 2 1 489.734 3.303 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303206996 1067745088 /nfs/dbraw/zinc/74/50/88/1067745088.db2.gz XTMLAOFMNJCILY-NRFANRHFSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001303206996 1067745090 /nfs/dbraw/zinc/74/50/90/1067745090.db2.gz XTMLAOFMNJCILY-NRFANRHFSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001303206996 1067745096 /nfs/dbraw/zinc/74/50/96/1067745096.db2.gz XTMLAOFMNJCILY-NRFANRHFSA-N 2 1 455.651 3.008 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001304674588 1067745373 /nfs/dbraw/zinc/74/53/73/1067745373.db2.gz SIHQEPZZRLUXQZ-JOCHJYFZSA-N 2 1 475.707 3.054 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001303261624 1067788209 /nfs/dbraw/zinc/78/82/09/1067788209.db2.gz PPFKDYSPNSYPMP-FUHWJXTLSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303261624 1067788215 /nfs/dbraw/zinc/78/82/15/1067788215.db2.gz PPFKDYSPNSYPMP-FUHWJXTLSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303261624 1067788219 /nfs/dbraw/zinc/78/82/19/1067788219.db2.gz PPFKDYSPNSYPMP-FUHWJXTLSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001303262572 1067789671 /nfs/dbraw/zinc/78/96/71/1067789671.db2.gz HFTFRAMEMLKSEQ-GOSISDBHSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001303262572 1067789673 /nfs/dbraw/zinc/78/96/73/1067789673.db2.gz HFTFRAMEMLKSEQ-GOSISDBHSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303262572 1067789679 /nfs/dbraw/zinc/78/96/79/1067789679.db2.gz HFTFRAMEMLKSEQ-GOSISDBHSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303262572 1067789682 /nfs/dbraw/zinc/78/96/82/1067789682.db2.gz HFTFRAMEMLKSEQ-GOSISDBHSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001303262573 1067789929 /nfs/dbraw/zinc/78/99/29/1067789929.db2.gz HFTFRAMEMLKSEQ-SFHVURJKSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001303262573 1067789941 /nfs/dbraw/zinc/78/99/41/1067789941.db2.gz HFTFRAMEMLKSEQ-SFHVURJKSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303262573 1067789949 /nfs/dbraw/zinc/78/99/49/1067789949.db2.gz HFTFRAMEMLKSEQ-SFHVURJKSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303262573 1067789959 /nfs/dbraw/zinc/78/99/59/1067789959.db2.gz HFTFRAMEMLKSEQ-SFHVURJKSA-N 2 1 495.441 3.098 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001303268345 1067796234 /nfs/dbraw/zinc/79/62/34/1067796234.db2.gz GCIFGSHPXSJFNN-WBVHZDCISA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001303268345 1067796241 /nfs/dbraw/zinc/79/62/41/1067796241.db2.gz GCIFGSHPXSJFNN-WBVHZDCISA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001303268345 1067796247 /nfs/dbraw/zinc/79/62/47/1067796247.db2.gz GCIFGSHPXSJFNN-WBVHZDCISA-N 2 1 450.429 3.049 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001304726568 1067799024 /nfs/dbraw/zinc/79/90/24/1067799024.db2.gz WZXUIXWOOXXBOB-UHFFFAOYSA-N 2 1 456.683 3.337 20 0 JGADMP CC(C)[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC001303293012 1067819263 /nfs/dbraw/zinc/81/92/63/1067819263.db2.gz YRWPJVLVPYGHDY-UHFFFAOYSA-N 2 1 496.685 3.428 20 0 JGADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001303298398 1067823126 /nfs/dbraw/zinc/82/31/26/1067823126.db2.gz SPXHDIJPNMPEFN-JOCHJYFZSA-N 2 1 459.727 3.346 20 0 JGADMP CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001303298560 1067823491 /nfs/dbraw/zinc/82/34/91/1067823491.db2.gz MDJMGFZJJXASIV-HSZRJFAPSA-N 2 1 467.662 3.060 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001303308281 1067836430 /nfs/dbraw/zinc/83/64/30/1067836430.db2.gz VDKRCDKAQUYPFA-UHFFFAOYSA-N 2 1 462.042 3.025 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001304763911 1067852695 /nfs/dbraw/zinc/85/26/95/1067852695.db2.gz MEVIJXPDASFGQY-UHFFFAOYSA-N 2 1 482.652 3.331 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001304763911 1067852706 /nfs/dbraw/zinc/85/27/06/1067852706.db2.gz MEVIJXPDASFGQY-UHFFFAOYSA-N 2 1 482.652 3.331 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329216 1067857366 /nfs/dbraw/zinc/85/73/66/1067857366.db2.gz YBYXVDLSWFGUDC-GGAORHGYSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001303329216 1067857373 /nfs/dbraw/zinc/85/73/73/1067857373.db2.gz YBYXVDLSWFGUDC-GGAORHGYSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001303329216 1067857382 /nfs/dbraw/zinc/85/73/82/1067857382.db2.gz YBYXVDLSWFGUDC-GGAORHGYSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001303366193 1067894204 /nfs/dbraw/zinc/89/42/04/1067894204.db2.gz JYUDKLQNTHYZMX-QHCPKHFHSA-N 2 1 469.678 3.276 20 0 JGADMP Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304855639 1067906253 /nfs/dbraw/zinc/90/62/53/1067906253.db2.gz FUOFVEWUFIMDBI-ZRZAMGCNSA-N 2 1 459.727 3.339 20 0 JGADMP Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304857966 1067907661 /nfs/dbraw/zinc/90/76/61/1067907661.db2.gz DQCDXVMHXZRGNN-ZFGGDYGUSA-N 2 1 454.663 3.199 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001303396363 1067923353 /nfs/dbraw/zinc/92/33/53/1067923353.db2.gz BEYPBZAFLVQCCO-UHFFFAOYSA-N 2 1 487.718 3.311 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001303402723 1067931262 /nfs/dbraw/zinc/93/12/62/1067931262.db2.gz MLHYZHZQTLGKRG-FPOVZHCZSA-N 2 1 487.718 3.481 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001304923238 1067964763 /nfs/dbraw/zinc/96/47/63/1067964763.db2.gz AOBOGXATVZHHEK-GSPCLOLRSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001304923238 1067964766 /nfs/dbraw/zinc/96/47/66/1067964766.db2.gz AOBOGXATVZHHEK-GSPCLOLRSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001304925437 1067969052 /nfs/dbraw/zinc/96/90/52/1067969052.db2.gz DCGVWSSVFPLDSX-RJGXRXQPSA-N 2 1 476.710 3.292 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304929675 1067978348 /nfs/dbraw/zinc/97/83/48/1067978348.db2.gz XYHKCJYJMRPRMJ-ZRBLBEILSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304929675 1067978352 /nfs/dbraw/zinc/97/83/52/1067978352.db2.gz XYHKCJYJMRPRMJ-ZRBLBEILSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304929675 1067978356 /nfs/dbraw/zinc/97/83/56/1067978356.db2.gz XYHKCJYJMRPRMJ-ZRBLBEILSA-N 2 1 476.710 3.435 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304929675 1067978360 /nfs/dbraw/zinc/97/83/60/1067978360.db2.gz XYHKCJYJMRPRMJ-ZRBLBEILSA-N 2 1 476.710 3.435 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303465244 1067984315 /nfs/dbraw/zinc/98/43/15/1067984315.db2.gz GOZRJLYHKFFGLK-UHFFFAOYSA-N 2 1 476.616 3.225 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303465244 1067984318 /nfs/dbraw/zinc/98/43/18/1067984318.db2.gz GOZRJLYHKFFGLK-UHFFFAOYSA-N 2 1 476.616 3.225 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001304981997 1068022962 /nfs/dbraw/zinc/02/29/62/1068022962.db2.gz CSANTOSVOFDORW-IFOBJOEFSA-N 2 1 471.694 3.340 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001304981997 1068022976 /nfs/dbraw/zinc/02/29/76/1068022976.db2.gz CSANTOSVOFDORW-IFOBJOEFSA-N 2 1 471.694 3.340 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304992040 1068033447 /nfs/dbraw/zinc/03/34/47/1068033447.db2.gz XWTLFNLPLMYUAB-KCWPFWIISA-N 2 1 483.705 3.321 20 0 JGADMP C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015477 1068058020 /nfs/dbraw/zinc/05/80/20/1068058020.db2.gz JQMPQBXCQOOZDA-RTWAWAEBSA-N 2 1 459.683 3.052 20 0 JGADMP C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019705 1068066442 /nfs/dbraw/zinc/06/64/42/1068066442.db2.gz RGOQQKXWOZJZBI-FCHUYYIVSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@H]1CCCC[NH+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305019705 1068066456 /nfs/dbraw/zinc/06/64/56/1068066456.db2.gz RGOQQKXWOZJZBI-FCHUYYIVSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@H]1CCCC[NH+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305019705 1068066470 /nfs/dbraw/zinc/06/64/70/1068066470.db2.gz RGOQQKXWOZJZBI-FCHUYYIVSA-N 2 1 494.750 3.145 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305025977 1068081732 /nfs/dbraw/zinc/08/17/32/1068081732.db2.gz VFKYGFWFVAPHRA-GPXNEJASSA-N 2 1 454.663 3.378 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028409 1068085396 /nfs/dbraw/zinc/08/53/96/1068085396.db2.gz FZIXOEGPCCONOH-UXHICEINSA-N 2 1 487.718 3.357 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305048735 1068107908 /nfs/dbraw/zinc/10/79/08/1068107908.db2.gz LRRYDVRAMWCRCG-BKMJKUGQSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001305048735 1068107912 /nfs/dbraw/zinc/10/79/12/1068107912.db2.gz LRRYDVRAMWCRCG-BKMJKUGQSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001305048735 1068107915 /nfs/dbraw/zinc/10/79/15/1068107915.db2.gz LRRYDVRAMWCRCG-BKMJKUGQSA-N 2 1 476.710 3.361 20 0 JGADMP C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccn3C)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305052143 1068116165 /nfs/dbraw/zinc/11/61/65/1068116165.db2.gz YVOKNRKLCRQYGO-ZLNRFVROSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccn3C)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305052143 1068116173 /nfs/dbraw/zinc/11/61/73/1068116173.db2.gz YVOKNRKLCRQYGO-ZLNRFVROSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1CCC[NH+](CCCCn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305052143 1068116175 /nfs/dbraw/zinc/11/61/75/1068116175.db2.gz YVOKNRKLCRQYGO-ZLNRFVROSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@@H]1CCC[NH+](CCCCn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305052143 1068116179 /nfs/dbraw/zinc/11/61/79/1068116179.db2.gz YVOKNRKLCRQYGO-ZLNRFVROSA-N 2 1 471.694 3.341 20 0 JGADMP C[C@H]1CCC[N@H+]1CCn1c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061489 1068127112 /nfs/dbraw/zinc/12/71/12/1068127112.db2.gz HNOHNRSMGHZIFJ-QFIPXVFZSA-N 2 1 453.679 3.318 20 0 JGADMP CC1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001305104047 1068171980 /nfs/dbraw/zinc/17/19/80/1068171980.db2.gz SAITVJHLKZUKHN-JOCHJYFZSA-N 2 1 462.683 3.189 20 0 JGADMP CC1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001305104047 1068171983 /nfs/dbraw/zinc/17/19/83/1068171983.db2.gz SAITVJHLKZUKHN-JOCHJYFZSA-N 2 1 462.683 3.189 20 0 JGADMP 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 1068180036 /nfs/dbraw/zinc/18/00/36/1068180036.db2.gz SVVXCCFLKVFFNG-DNQXCXABSA-N 2 1 487.737 3.485 20 0 JGADMP C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001305115650 1068194510 /nfs/dbraw/zinc/19/45/10/1068194510.db2.gz ZGZHARQYGFPUHS-FGZHOGPDSA-N 2 1 499.704 3.023 20 0 JGADMP 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 1068239563 /nfs/dbraw/zinc/23/95/63/1068239563.db2.gz WVVYAUDHHYJDLN-GBESFXJTSA-N 2 1 476.069 3.269 20 0 JGADMP C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC001303701970 1068246498 /nfs/dbraw/zinc/24/64/98/1068246498.db2.gz YRMJYWRIPXNZRR-ZLNRFVROSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC001303701970 1068246509 /nfs/dbraw/zinc/24/65/09/1068246509.db2.gz YRMJYWRIPXNZRR-ZLNRFVROSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001303701970 1068246520 /nfs/dbraw/zinc/24/65/20/1068246520.db2.gz YRMJYWRIPXNZRR-ZLNRFVROSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001303701970 1068246524 /nfs/dbraw/zinc/24/65/24/1068246524.db2.gz YRMJYWRIPXNZRR-ZLNRFVROSA-N 2 1 477.657 3.406 20 0 JGADMP C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303726331 1068278794 /nfs/dbraw/zinc/27/87/94/1068278794.db2.gz ATYIXHGWPIOIRN-QYXIYQDXSA-N 2 1 482.652 3.211 20 0 JGADMP C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1)[NH+](C)C ZINC001303733517 1068289587 /nfs/dbraw/zinc/28/95/87/1068289587.db2.gz XIBBYQVAQAPSMZ-HXUWFJFHSA-N 2 1 454.644 3.082 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001305204043 1068327784 /nfs/dbraw/zinc/32/77/84/1068327784.db2.gz MRLJSIZLRWVSCO-XMMPIXPASA-N 2 1 497.732 3.377 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001305223215 1068364111 /nfs/dbraw/zinc/36/41/11/1068364111.db2.gz SEMWSPIMPJVABG-FYYLOGMGSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001305223215 1068364126 /nfs/dbraw/zinc/36/41/26/1068364126.db2.gz SEMWSPIMPJVABG-FYYLOGMGSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001305223215 1068364138 /nfs/dbraw/zinc/36/41/38/1068364138.db2.gz SEMWSPIMPJVABG-FYYLOGMGSA-N 2 1 462.683 3.187 20 0 JGADMP 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 1068648209 /nfs/dbraw/zinc/64/82/09/1068648209.db2.gz AQIOCTIXQHDYTK-NEUULRRLSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001305408888 1068648214 /nfs/dbraw/zinc/64/82/14/1068648214.db2.gz AQIOCTIXQHDYTK-NEUULRRLSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305408888 1068648217 /nfs/dbraw/zinc/64/82/17/1068648217.db2.gz AQIOCTIXQHDYTK-NEUULRRLSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540035 1068808577 /nfs/dbraw/zinc/80/85/77/1068808577.db2.gz HXGMUNVBRPBAEJ-JBRSBNLGSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540035 1068808599 /nfs/dbraw/zinc/80/85/99/1068808599.db2.gz HXGMUNVBRPBAEJ-JBRSBNLGSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540035 1068808619 /nfs/dbraw/zinc/80/86/19/1068808619.db2.gz HXGMUNVBRPBAEJ-JBRSBNLGSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@H+](C)C(C)C ZINC001305541558 1068812624 /nfs/dbraw/zinc/81/26/24/1068812624.db2.gz NYHFYSZAKHXYPG-HXUWFJFHSA-N 2 1 456.635 3.225 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@@H+](C)C(C)C ZINC001305541558 1068812637 /nfs/dbraw/zinc/81/26/37/1068812637.db2.gz NYHFYSZAKHXYPG-HXUWFJFHSA-N 2 1 456.635 3.225 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305544334 1068821180 /nfs/dbraw/zinc/82/11/80/1068821180.db2.gz OWMIXMIEMRCHJB-IRLDBZIGSA-N 2 1 458.626 3.221 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001305604160 1068869500 /nfs/dbraw/zinc/86/95/00/1068869500.db2.gz MKNAHEKXBUDHLM-CNNODRBYSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305604160 1068869508 /nfs/dbraw/zinc/86/95/08/1068869508.db2.gz MKNAHEKXBUDHLM-CNNODRBYSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305604160 1068869519 /nfs/dbraw/zinc/86/95/19/1068869519.db2.gz MKNAHEKXBUDHLM-CNNODRBYSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001305606817 1068874539 /nfs/dbraw/zinc/87/45/39/1068874539.db2.gz WCCKXTGWDNRPDC-OALUTQOASA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001305606817 1068874550 /nfs/dbraw/zinc/87/45/50/1068874550.db2.gz WCCKXTGWDNRPDC-OALUTQOASA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001305606817 1068874560 /nfs/dbraw/zinc/87/45/60/1068874560.db2.gz WCCKXTGWDNRPDC-OALUTQOASA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305606818 1068874758 /nfs/dbraw/zinc/87/47/58/1068874758.db2.gz WCCKXTGWDNRPDC-RBUKOAKNSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001305606818 1068874768 /nfs/dbraw/zinc/87/47/68/1068874768.db2.gz WCCKXTGWDNRPDC-RBUKOAKNSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305606818 1068874775 /nfs/dbraw/zinc/87/47/75/1068874775.db2.gz WCCKXTGWDNRPDC-RBUKOAKNSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001305609453 1068881833 /nfs/dbraw/zinc/88/18/33/1068881833.db2.gz DHMSLXKVSQMDOK-SFTDATJTSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001305609453 1068881840 /nfs/dbraw/zinc/88/18/40/1068881840.db2.gz DHMSLXKVSQMDOK-SFTDATJTSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305609453 1068881848 /nfs/dbraw/zinc/88/18/48/1068881848.db2.gz DHMSLXKVSQMDOK-SFTDATJTSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001305615003 1068892015 /nfs/dbraw/zinc/89/20/15/1068892015.db2.gz RDXUOXAHGPWOJA-NRFANRHFSA-N 2 1 480.661 3.048 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001305615003 1068892023 /nfs/dbraw/zinc/89/20/23/1068892023.db2.gz RDXUOXAHGPWOJA-NRFANRHFSA-N 2 1 480.661 3.048 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001305615004 1068892107 /nfs/dbraw/zinc/89/21/07/1068892107.db2.gz RDXUOXAHGPWOJA-OAQYLSRUSA-N 2 1 480.661 3.048 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001305615004 1068892112 /nfs/dbraw/zinc/89/21/12/1068892112.db2.gz RDXUOXAHGPWOJA-OAQYLSRUSA-N 2 1 480.661 3.048 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615257 1068892513 /nfs/dbraw/zinc/89/25/13/1068892513.db2.gz UKXRMJKTRNTFSR-GOSISDBHSA-N 2 1 459.639 3.047 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305615257 1068892524 /nfs/dbraw/zinc/89/25/24/1068892524.db2.gz UKXRMJKTRNTFSR-GOSISDBHSA-N 2 1 459.639 3.047 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305615257 1068892536 /nfs/dbraw/zinc/89/25/36/1068892536.db2.gz UKXRMJKTRNTFSR-GOSISDBHSA-N 2 1 459.639 3.047 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001305615348 1068892977 /nfs/dbraw/zinc/89/29/77/1068892977.db2.gz PSKPPXUWPIXJAV-BHDDXSALSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001305615348 1068892984 /nfs/dbraw/zinc/89/29/84/1068892984.db2.gz PSKPPXUWPIXJAV-BHDDXSALSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001305615348 1068892991 /nfs/dbraw/zinc/89/29/91/1068892991.db2.gz PSKPPXUWPIXJAV-BHDDXSALSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305615559 1068893809 /nfs/dbraw/zinc/89/38/09/1068893809.db2.gz QCCZFPGDHWPQTJ-NRFANRHFSA-N 2 1 483.709 3.103 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305620506 1068905576 /nfs/dbraw/zinc/90/55/76/1068905576.db2.gz WOOUMDIMRSZPKI-FUDKSRODSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305620506 1068905583 /nfs/dbraw/zinc/90/55/83/1068905583.db2.gz WOOUMDIMRSZPKI-FUDKSRODSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673185 1069022518 /nfs/dbraw/zinc/02/25/18/1069022518.db2.gz QXOJNQZQAQWJCY-CAOCKLPOSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673185 1069022533 /nfs/dbraw/zinc/02/25/33/1069022533.db2.gz QXOJNQZQAQWJCY-CAOCKLPOSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C)[C@@H](C)CC)c1ccccc1 ZINC001305673185 1069022542 /nfs/dbraw/zinc/02/25/42/1069022542.db2.gz QXOJNQZQAQWJCY-CAOCKLPOSA-N 2 1 495.716 3.293 20 0 JGADMP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677069 1069031782 /nfs/dbraw/zinc/03/17/82/1069031782.db2.gz WEAZZNOMIVDKGZ-RPBOFIJWSA-N 2 1 495.716 3.293 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001305758293 1069216965 /nfs/dbraw/zinc/21/69/65/1069216965.db2.gz IOOPILSJCFRKFA-UHFFFAOYSA-N 2 1 487.718 3.283 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[N@H+]1CCc2sccc2C1 ZINC001305758293 1069216976 /nfs/dbraw/zinc/21/69/76/1069216976.db2.gz IOOPILSJCFRKFA-UHFFFAOYSA-N 2 1 487.718 3.283 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001305769529 1069245228 /nfs/dbraw/zinc/24/52/28/1069245228.db2.gz HDTWQYDOBBCNGB-FGZHOGPDSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001305772225 1069250473 /nfs/dbraw/zinc/25/04/73/1069250473.db2.gz FZERIZJBFCQKKC-FQEVSTJZSA-N 2 1 461.699 3.239 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@H](C)C1 ZINC001305772225 1069250485 /nfs/dbraw/zinc/25/04/85/1069250485.db2.gz FZERIZJBFCQKKC-FQEVSTJZSA-N 2 1 461.699 3.239 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCC[C@H](C)C1 ZINC001305772225 1069250493 /nfs/dbraw/zinc/25/04/93/1069250493.db2.gz FZERIZJBFCQKKC-FQEVSTJZSA-N 2 1 461.699 3.239 20 0 JGADMP 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 1069251554 /nfs/dbraw/zinc/25/15/54/1069251554.db2.gz JZCOMDFXLVIAKU-OYRHEFFESA-N 2 1 491.725 3.006 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305772719 1069251560 /nfs/dbraw/zinc/25/15/60/1069251560.db2.gz JZCOMDFXLVIAKU-OYRHEFFESA-N 2 1 491.725 3.006 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305772719 1069251569 /nfs/dbraw/zinc/25/15/69/1069251569.db2.gz JZCOMDFXLVIAKU-OYRHEFFESA-N 2 1 491.725 3.006 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305780353 1069270651 /nfs/dbraw/zinc/27/06/51/1069270651.db2.gz CBDOMCFWTLVWSP-UXHICEINSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305780353 1069270659 /nfs/dbraw/zinc/27/06/59/1069270659.db2.gz CBDOMCFWTLVWSP-UXHICEINSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC[NH+]1CCCC1 ZINC001305787643 1069294279 /nfs/dbraw/zinc/29/42/79/1069294279.db2.gz NPQNVCCIKDRNAS-OAQYLSRUSA-N 2 1 467.662 3.003 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617095 719017718 /nfs/dbraw/zinc/01/77/18/719017718.db2.gz MBPQRPJTZRENMY-NZSAHSFTSA-N 2 1 469.655 3.286 20 0 JGADMP c1ccc(C[N@H+]2CCc3nc(N(Cc4noc5c4C[NH2+]CC5)c4ncccn4)ccc3C2)cc1 ZINC001164642898 719267064 /nfs/dbraw/zinc/26/70/64/719267064.db2.gz ZOEJTCWOGILOTH-UHFFFAOYSA-N 2 1 453.550 3.402 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164685007 719610541 /nfs/dbraw/zinc/61/05/41/719610541.db2.gz QBRMIIUTWBFALV-UHFFFAOYSA-N 2 1 452.990 3.337 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)NCc3ccccc3)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164685007 719610556 /nfs/dbraw/zinc/61/05/56/719610556.db2.gz QBRMIIUTWBFALV-UHFFFAOYSA-N 2 1 452.990 3.337 20 0 JGADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689371 719740032 /nfs/dbraw/zinc/74/00/32/719740032.db2.gz DBGHXQVHIVVDNF-UHFFFAOYSA-N 2 1 470.687 3.475 20 0 JGADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689371 719740038 /nfs/dbraw/zinc/74/00/38/719740038.db2.gz DBGHXQVHIVVDNF-UHFFFAOYSA-N 2 1 470.687 3.475 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)n1 ZINC001164689406 719743207 /nfs/dbraw/zinc/74/32/07/719743207.db2.gz FPBPZAZJNDGHJB-UHFFFAOYSA-N 2 1 458.676 3.331 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)n1 ZINC001164689406 719743212 /nfs/dbraw/zinc/74/32/12/719743212.db2.gz FPBPZAZJNDGHJB-UHFFFAOYSA-N 2 1 458.676 3.331 20 0 JGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164715546 720107842 /nfs/dbraw/zinc/10/78/42/720107842.db2.gz HUXSBKSGXLWZDH-OAQYLSRUSA-N 2 1 471.049 3.500 20 0 JGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715624 720203840 /nfs/dbraw/zinc/20/38/40/720203840.db2.gz LHUZJZIRHBCQSH-UPVQGACJSA-N 2 1 467.662 3.363 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164749343 720832945 /nfs/dbraw/zinc/83/29/45/720832945.db2.gz VPUUAUPPNLQBBJ-VDKIKQQVSA-N 2 1 468.609 3.451 20 0 JGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749343 720832947 /nfs/dbraw/zinc/83/29/47/720832947.db2.gz VPUUAUPPNLQBBJ-VDKIKQQVSA-N 2 1 468.609 3.451 20 0 JGADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164853367 720875538 /nfs/dbraw/zinc/87/55/38/720875538.db2.gz CCHFHNVCCCAWNM-FPOVZHCZSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164853367 720875539 /nfs/dbraw/zinc/87/55/39/720875539.db2.gz CCHFHNVCCCAWNM-FPOVZHCZSA-N 2 1 485.698 3.339 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752540 720901688 /nfs/dbraw/zinc/90/16/88/720901688.db2.gz FBCNZGBPJXXPEJ-YWEHKCAJSA-N 3 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164752540 720901691 /nfs/dbraw/zinc/90/16/91/720901691.db2.gz FBCNZGBPJXXPEJ-YWEHKCAJSA-N 2 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164752540 720901695 /nfs/dbraw/zinc/90/16/95/720901695.db2.gz FBCNZGBPJXXPEJ-YWEHKCAJSA-N 2 1 476.669 3.159 20 0 JGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164791250 721473301 /nfs/dbraw/zinc/47/33/01/721473301.db2.gz VZQNFNSSHNMJDN-XMMPIXPASA-N 2 1 472.674 3.194 20 0 JGADMP c1ccc(C[N@H+]2CCc3nc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@@H]54)c4ncccn4)ccc3C2)cc1 ZINC001164793275 721484050 /nfs/dbraw/zinc/48/40/50/721484050.db2.gz UBTWRSPIHGKRFD-LSQMVHIFSA-N 2 1 456.594 3.193 20 0 JGADMP CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(N2CCOCC2)[nH+]1 ZINC001164905574 721714146 /nfs/dbraw/zinc/71/41/46/721714146.db2.gz HROQZKPRYCNISZ-HSZRJFAPSA-N 2 1 458.557 3.008 20 0 JGADMP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001165013247 721750397 /nfs/dbraw/zinc/75/03/97/721750397.db2.gz VSQIIWBKYWQHEE-UHFFFAOYSA-N 2 1 467.992 3.180 20 0 JGADMP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164952934 721991317 /nfs/dbraw/zinc/99/13/17/721991317.db2.gz RLAXWGKAAQZGEW-HOFKKMOUSA-N 2 1 496.677 3.240 20 0 JGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950677 721991343 /nfs/dbraw/zinc/99/13/43/721991343.db2.gz JSEVEXFZRCPSBJ-FJIJXJHWSA-N 2 1 462.660 3.228 20 0 JGADMP O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164952937 721991359 /nfs/dbraw/zinc/99/13/59/721991359.db2.gz RLAXWGKAAQZGEW-WNCULLNHSA-N 2 1 496.677 3.240 20 0 JGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164950675 721991488 /nfs/dbraw/zinc/99/14/88/721991488.db2.gz JSEVEXFZRCPSBJ-BKULYWANSA-N 2 1 462.660 3.228 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960594 722025348 /nfs/dbraw/zinc/02/53/48/722025348.db2.gz LEFSJWAGWASMPG-AJTFRIOCSA-N 2 1 471.609 3.183 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960594 722025351 /nfs/dbraw/zinc/02/53/51/722025351.db2.gz LEFSJWAGWASMPG-AJTFRIOCSA-N 2 1 471.609 3.183 20 0 JGADMP CC[C@@H](Cn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850770 1069403533 /nfs/dbraw/zinc/40/35/33/1069403533.db2.gz RYJGUMYWTJAZIX-XZOQPEGZSA-N 2 1 484.689 3.012 20 0 JGADMP CC[C@H](Cn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850767 1069403562 /nfs/dbraw/zinc/40/35/62/1069403562.db2.gz RYJGUMYWTJAZIX-DHIUTWEWSA-N 2 1 484.689 3.012 20 0 JGADMP CC[C@@H](Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305848997 1069400535 /nfs/dbraw/zinc/40/05/35/1069400535.db2.gz CSOGTCPNXTYWRO-ZRBLBEILSA-N 2 1 459.727 3.445 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298236376 1064141971 /nfs/dbraw/zinc/14/19/71/1064141971.db2.gz SZZWZGCUILYACH-QFIPXVFZSA-N 2 1 469.678 3.255 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001298236376 1064141977 /nfs/dbraw/zinc/14/19/77/1064141977.db2.gz SZZWZGCUILYACH-QFIPXVFZSA-N 2 1 469.678 3.255 20 0 JGADMP C[N@H+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001298349830 1064213375 /nfs/dbraw/zinc/21/33/75/1064213375.db2.gz DZHYUKKKEICDQF-MHZLTWQESA-N 2 1 468.690 3.282 20 0 JGADMP C[NH+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001298349830 1064213382 /nfs/dbraw/zinc/21/33/82/1064213382.db2.gz DZHYUKKKEICDQF-MHZLTWQESA-N 2 1 468.690 3.282 20 0 JGADMP C[NH+](Cc1ccccc1)CC1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001298349830 1064213387 /nfs/dbraw/zinc/21/33/87/1064213387.db2.gz DZHYUKKKEICDQF-MHZLTWQESA-N 2 1 468.690 3.282 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001298728546 1064542373 /nfs/dbraw/zinc/54/23/73/1064542373.db2.gz WMKDYWRWZSYVCR-UHFFFAOYSA-N 2 1 469.678 3.434 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001298728546 1064542387 /nfs/dbraw/zinc/54/23/87/1064542387.db2.gz WMKDYWRWZSYVCR-UHFFFAOYSA-N 2 1 469.678 3.434 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001298730124 1064545321 /nfs/dbraw/zinc/54/53/21/1064545321.db2.gz RZZFHQUQWAQNDH-DEOSSOPVSA-N 2 1 495.647 3.253 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001298730124 1064545334 /nfs/dbraw/zinc/54/53/34/1064545334.db2.gz RZZFHQUQWAQNDH-DEOSSOPVSA-N 2 1 495.647 3.253 20 0 JGADMP COc1cc(C[NH+]2CCN(c3nnc(C)n3CCCC[NH+]3CCC(C)CC3)CC2)cc(OC)c1 ZINC001299893406 1065123404 /nfs/dbraw/zinc/12/34/04/1065123404.db2.gz UKGCGMVBJJJECJ-UHFFFAOYSA-N 2 1 470.662 3.438 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCOCC[NH+](C)C)cc1C ZINC001492269304 1065364962 /nfs/dbraw/zinc/36/49/62/1065364962.db2.gz YALGCOZZEWGQFN-FQEVSTJZSA-N 2 1 497.688 3.036 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302026035 1066385707 /nfs/dbraw/zinc/38/57/07/1066385707.db2.gz VWQHQKPFPQTIQY-FGZHOGPDSA-N 2 1 462.683 3.189 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001302030863 1066395917 /nfs/dbraw/zinc/39/59/17/1066395917.db2.gz YUYNKPJHCXERLW-PZJWPPBQSA-N 2 1 450.672 3.089 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302054159 1066446533 /nfs/dbraw/zinc/44/65/33/1066446533.db2.gz LDLPEQAUVFTNAO-AFXVXQJMSA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001302080415 1066496645 /nfs/dbraw/zinc/49/66/45/1066496645.db2.gz PDJYQYGDQYSXOB-RTWAWAEBSA-N 2 1 450.672 3.043 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301707687 1066598315 /nfs/dbraw/zinc/59/83/15/1066598315.db2.gz FBESJJZVEFQDAC-URXFXBBRSA-N 2 1 473.710 3.043 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301707688 1066598478 /nfs/dbraw/zinc/59/84/78/1066598478.db2.gz FBESJJZVEFQDAC-XUZZJYLKSA-N 2 1 473.710 3.043 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301717809 1066619361 /nfs/dbraw/zinc/61/93/61/1066619361.db2.gz VUAOJBPOUGXHCE-UHFFFAOYSA-N 2 1 467.662 3.326 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001301723341 1066634842 /nfs/dbraw/zinc/63/48/42/1066634842.db2.gz YHSJDEOTCAUYID-UHFFFAOYSA-N 2 1 491.478 3.350 20 0 JGADMP COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001301735556 1066657226 /nfs/dbraw/zinc/65/72/26/1066657226.db2.gz CTYGKRAONWIVFO-IEBWSBKVSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001301735556 1066657227 /nfs/dbraw/zinc/65/72/27/1066657227.db2.gz CTYGKRAONWIVFO-IEBWSBKVSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301735556 1066657229 /nfs/dbraw/zinc/65/72/29/1066657229.db2.gz CTYGKRAONWIVFO-IEBWSBKVSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001301735558 1066657276 /nfs/dbraw/zinc/65/72/76/1066657276.db2.gz CTYGKRAONWIVFO-PKOBYXMFSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001301735558 1066657280 /nfs/dbraw/zinc/65/72/80/1066657280.db2.gz CTYGKRAONWIVFO-PKOBYXMFSA-N 2 1 497.471 3.415 20 0 JGADMP COCC[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001301735558 1066657284 /nfs/dbraw/zinc/65/72/84/1066657284.db2.gz CTYGKRAONWIVFO-PKOBYXMFSA-N 2 1 497.471 3.415 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302192862 1066678237 /nfs/dbraw/zinc/67/82/37/1066678237.db2.gz MISPBHUHLVHVJX-UHFFFAOYSA-N 2 1 472.653 3.289 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCCCC2)CC1 ZINC001302199730 1066692159 /nfs/dbraw/zinc/69/21/59/1066692159.db2.gz HBGOKELGKZEBGI-UHFFFAOYSA-N 2 1 487.718 3.456 20 0 JGADMP CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302200938 1066695524 /nfs/dbraw/zinc/69/55/24/1066695524.db2.gz UQADTTOXYHJIHE-UHFFFAOYSA-N 2 1 458.626 3.041 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001302200938 1066695527 /nfs/dbraw/zinc/69/55/27/1066695527.db2.gz UQADTTOXYHJIHE-UHFFFAOYSA-N 2 1 458.626 3.041 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302290737 1066869968 /nfs/dbraw/zinc/86/99/68/1066869968.db2.gz SFNJOUXXLBIVOE-GIWBLDEGSA-N 2 1 462.683 3.089 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001301874593 1066875715 /nfs/dbraw/zinc/87/57/15/1066875715.db2.gz JXCYBSCHCHGINJ-TZIWHRDSSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001301874593 1066875719 /nfs/dbraw/zinc/87/57/19/1066875719.db2.gz JXCYBSCHCHGINJ-TZIWHRDSSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001301874590 1066875761 /nfs/dbraw/zinc/87/57/61/1066875761.db2.gz JXCYBSCHCHGINJ-CTNGQTDRSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001301874590 1066875765 /nfs/dbraw/zinc/87/57/65/1066875765.db2.gz JXCYBSCHCHGINJ-CTNGQTDRSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301877741 1066880237 /nfs/dbraw/zinc/88/02/37/1066880237.db2.gz RDALBZQYWLHCOC-WOJBJXKFSA-N 2 1 474.625 3.198 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301877738 1066880351 /nfs/dbraw/zinc/88/03/51/1066880351.db2.gz RDALBZQYWLHCOC-PMACEKPBSA-N 2 1 474.625 3.198 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301885310 1066894263 /nfs/dbraw/zinc/89/42/63/1066894263.db2.gz IPERQWAEFWWQQU-NRFANRHFSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301885310 1066894272 /nfs/dbraw/zinc/89/42/72/1066894272.db2.gz IPERQWAEFWWQQU-NRFANRHFSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001301885310 1066894277 /nfs/dbraw/zinc/89/42/77/1066894277.db2.gz IPERQWAEFWWQQU-NRFANRHFSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001301886242 1066896652 /nfs/dbraw/zinc/89/66/52/1066896652.db2.gz SXKJZXIHYGWWFL-INIZCTEOSA-N 2 1 483.480 3.022 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001301888237 1066903119 /nfs/dbraw/zinc/90/31/19/1066903119.db2.gz OXMXHVFCCHJDHS-UHFFFAOYSA-N 2 1 491.080 3.498 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301896276 1066918954 /nfs/dbraw/zinc/91/89/54/1066918954.db2.gz HZLYOQOWDNFLBX-QHCPKHFHSA-N 2 1 458.626 3.363 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001301896438 1066919283 /nfs/dbraw/zinc/91/92/83/1066919283.db2.gz JVFGKMCPIOFSOB-UNMCSNQZSA-N 2 1 452.603 3.306 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301909371 1066932876 /nfs/dbraw/zinc/93/28/76/1066932876.db2.gz AHUYDQBKLTZLBQ-XXBNENTESA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909371 1066932882 /nfs/dbraw/zinc/93/28/82/1066932882.db2.gz AHUYDQBKLTZLBQ-XXBNENTESA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909371 1066932887 /nfs/dbraw/zinc/93/28/87/1066932887.db2.gz AHUYDQBKLTZLBQ-XXBNENTESA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301910886 1066935828 /nfs/dbraw/zinc/93/58/28/1066935828.db2.gz JSVMGQAOBUVOFD-IBVKSMDESA-N 2 1 490.643 3.426 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301913580 1066941137 /nfs/dbraw/zinc/94/11/37/1066941137.db2.gz VHMUCAVNWZPYCJ-LEWJYISDSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301913580 1066941144 /nfs/dbraw/zinc/94/11/44/1066941144.db2.gz VHMUCAVNWZPYCJ-LEWJYISDSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301915024 1066944438 /nfs/dbraw/zinc/94/44/38/1066944438.db2.gz RSXGDCMVPRCAHF-VABKMULXSA-N 2 1 462.683 3.046 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301918449 1066949342 /nfs/dbraw/zinc/94/93/42/1066949342.db2.gz CEKAARVMSAYAFS-UKILVPOCSA-N 2 1 468.690 3.455 20 0 JGADMP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302358900 1066949936 /nfs/dbraw/zinc/94/99/36/1066949936.db2.gz VMGZPXCHDIRPTD-QHCPKHFHSA-N 2 1 469.678 3.008 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301919213 1066951011 /nfs/dbraw/zinc/95/10/11/1066951011.db2.gz GNNRIWLGDWJMPR-RLWLMLJZSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919716 1066952405 /nfs/dbraw/zinc/95/24/05/1066952405.db2.gz JZKUITKMRWOEES-XUZZJYLKSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919716 1066952413 /nfs/dbraw/zinc/95/24/13/1066952413.db2.gz JZKUITKMRWOEES-XUZZJYLKSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919716 1066952419 /nfs/dbraw/zinc/95/24/19/1066952419.db2.gz JZKUITKMRWOEES-XUZZJYLKSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301921182 1066954556 /nfs/dbraw/zinc/95/45/56/1066954556.db2.gz RCJPOKNALSPLAF-AMGIVPHBSA-N 2 1 468.690 3.456 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001301928040 1066965172 /nfs/dbraw/zinc/96/51/72/1066965172.db2.gz RQIKDCKODPJZIZ-DNQXCXABSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001301928040 1066965179 /nfs/dbraw/zinc/96/51/79/1066965179.db2.gz RQIKDCKODPJZIZ-DNQXCXABSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001301928040 1066965185 /nfs/dbraw/zinc/96/51/85/1066965185.db2.gz RQIKDCKODPJZIZ-DNQXCXABSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301933272 1066971986 /nfs/dbraw/zinc/97/19/86/1066971986.db2.gz MQVKYKGRCQAWEN-UEQSERJNSA-N 2 1 490.737 3.333 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301933272 1066971993 /nfs/dbraw/zinc/97/19/93/1066971993.db2.gz MQVKYKGRCQAWEN-UEQSERJNSA-N 2 1 490.737 3.333 20 0 JGADMP CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302526950 1067152365 /nfs/dbraw/zinc/15/23/65/1067152365.db2.gz WSPNIUXFGDWNIJ-XZOQPEGZSA-N 2 1 476.710 3.087 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001304139891 1067180556 /nfs/dbraw/zinc/18/05/56/1067180556.db2.gz PIXOCCMJFZJHHH-QKNQBKEWSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](C)[NH+](C)C ZINC001304139891 1067180557 /nfs/dbraw/zinc/18/05/57/1067180557.db2.gz PIXOCCMJFZJHHH-QKNQBKEWSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171560 1067219298 /nfs/dbraw/zinc/21/92/98/1067219298.db2.gz RVYHQCMKNJDJAA-UKILVPOCSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171560 1067219301 /nfs/dbraw/zinc/21/93/01/1067219301.db2.gz RVYHQCMKNJDJAA-UKILVPOCSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1[nH+]ccn1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304182266 1067231659 /nfs/dbraw/zinc/23/16/59/1067231659.db2.gz MRNAOFNRZPENRZ-UHFFFAOYSA-N 2 1 451.619 3.457 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[NH+]1CCc2ccccc2C1 ZINC001302595225 1067232875 /nfs/dbraw/zinc/23/28/75/1067232875.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[NH+]1CCc2ccccc2C1 ZINC001302595225 1067232881 /nfs/dbraw/zinc/23/28/81/1067232881.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302595225 1067232887 /nfs/dbraw/zinc/23/28/87/1067232887.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302595225 1067232892 /nfs/dbraw/zinc/23/28/92/1067232892.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 2 1 454.663 3.394 20 0 JGADMP CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302615097 1067249066 /nfs/dbraw/zinc/24/90/66/1067249066.db2.gz UBPYDSIRLKKTRX-QHCPKHFHSA-N 2 1 487.737 3.340 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001302674712 1067300623 /nfs/dbraw/zinc/30/06/23/1067300623.db2.gz UTSVUQYVJYJPAM-QHCPKHFHSA-N 2 1 454.663 3.327 20 0 JGADMP Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304276804 1067315300 /nfs/dbraw/zinc/31/53/00/1067315300.db2.gz VPPMKJFDLDHYHM-QHCPKHFHSA-N 2 1 467.662 3.046 20 0 JGADMP Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304279296 1067319758 /nfs/dbraw/zinc/31/97/58/1067319758.db2.gz UDMYQIAFWVAKQH-ISKFKSNPSA-N 2 1 454.663 3.246 20 0 JGADMP Cc1ccc(-c2nnc(N(C)CC[NH+]3CCN(c4ccccc4)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001304303757 1067351886 /nfs/dbraw/zinc/35/18/86/1067351886.db2.gz AELMEJYDYBEBLH-UHFFFAOYSA-N 2 1 465.646 3.445 20 0 JGADMP CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817485 1067404679 /nfs/dbraw/zinc/40/46/79/1067404679.db2.gz DZADUZBEMAVMCP-FYYLOGMGSA-N 2 1 458.626 3.220 20 0 JGADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001302818112 1067405813 /nfs/dbraw/zinc/40/58/13/1067405813.db2.gz HFBSUJLFSVFHME-AGILITTLSA-N 2 1 472.653 3.141 20 0 JGADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001302818118 1067405845 /nfs/dbraw/zinc/40/58/45/1067405845.db2.gz HFBSUJLFSVFHME-ZTCOLXNVSA-N 2 1 472.653 3.141 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+](C)C2CC2)cc1C ZINC001304375065 1067414278 /nfs/dbraw/zinc/41/42/78/1067414278.db2.gz JALNEIRIBKQELC-NRFANRHFSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+](C)C2CC2)cc1C ZINC001304375065 1067414279 /nfs/dbraw/zinc/41/42/79/1067414279.db2.gz JALNEIRIBKQELC-NRFANRHFSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@H](C)[N@H+](C)C2CC2)cc1C ZINC001304375065 1067414281 /nfs/dbraw/zinc/41/42/81/1067414281.db2.gz JALNEIRIBKQELC-NRFANRHFSA-N 2 1 497.688 3.177 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1C ZINC001304375065 1067414283 /nfs/dbraw/zinc/41/42/83/1067414283.db2.gz JALNEIRIBKQELC-NRFANRHFSA-N 2 1 497.688 3.177 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485474 /nfs/dbraw/zinc/48/54/74/1067485474.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 2 1 459.038 3.406 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485479 /nfs/dbraw/zinc/48/54/79/1067485479.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 2 1 459.038 3.406 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485482 /nfs/dbraw/zinc/48/54/82/1067485482.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 2 1 459.038 3.406 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485486 /nfs/dbraw/zinc/48/54/86/1067485486.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 2 1 459.038 3.406 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302906102 1067491442 /nfs/dbraw/zinc/49/14/42/1067491442.db2.gz ZQNBBZFHZAMLJL-ZFGGDYGUSA-N 2 1 469.678 3.396 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC001302906102 1067491445 /nfs/dbraw/zinc/49/14/45/1067491445.db2.gz ZQNBBZFHZAMLJL-ZFGGDYGUSA-N 2 1 469.678 3.396 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001302962032 1067533330 /nfs/dbraw/zinc/53/33/30/1067533330.db2.gz STMHYXOAGNAACM-DEOSSOPVSA-N 2 1 454.663 3.207 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001304459652 1067539041 /nfs/dbraw/zinc/53/90/41/1067539041.db2.gz KDQLDUTWOIDBHF-QFIPXVFZSA-N 2 1 469.678 3.460 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001304459652 1067539048 /nfs/dbraw/zinc/53/90/48/1067539048.db2.gz KDQLDUTWOIDBHF-QFIPXVFZSA-N 2 1 469.678 3.460 20 0 JGADMP Cc1cccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464101 1067542123 /nfs/dbraw/zinc/54/21/23/1067542123.db2.gz JAKPATVYWJJIRF-XUZZJYLKSA-N 2 1 469.678 3.314 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001304478632 1067557642 /nfs/dbraw/zinc/55/76/42/1067557642.db2.gz DJGZUUVHZPAEHU-DEOSSOPVSA-N 2 1 457.692 3.396 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304554126 1067623774 /nfs/dbraw/zinc/62/37/74/1067623774.db2.gz WSSYCUSDWBNMDP-UHFFFAOYSA-N 2 1 481.733 3.418 20 0 JGADMP CC(C)CCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001303095648 1067632132 /nfs/dbraw/zinc/63/21/32/1067632132.db2.gz PMAUCHBSLILLME-HHHXNRCGSA-N 2 1 484.689 3.403 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001303183068 1067715245 /nfs/dbraw/zinc/71/52/45/1067715245.db2.gz HPJKCOQCJJWZEF-GOSISDBHSA-N 2 1 465.017 3.236 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001303183070 1067715364 /nfs/dbraw/zinc/71/53/64/1067715364.db2.gz HPJKCOQCJJWZEF-SFHVURJKSA-N 2 1 465.017 3.236 20 0 JGADMP 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 1067719670 /nfs/dbraw/zinc/71/96/70/1067719670.db2.gz UQHYOYIVSFNPRD-UMFSSWHCSA-N 2 1 476.710 3.217 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001304671185 1067740295 /nfs/dbraw/zinc/74/02/95/1067740295.db2.gz UVWPUQYWMVCFGR-AUSIDOKSSA-N 2 1 489.734 3.300 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258702 1067785624 /nfs/dbraw/zinc/78/56/24/1067785624.db2.gz OCLVDMYOCPKSJG-PKTZIBPZSA-N 2 1 467.662 3.089 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001303258703 1067785658 /nfs/dbraw/zinc/78/56/58/1067785658.db2.gz OCLVDMYOCPKSJG-XZOQPEGZSA-N 2 1 467.662 3.089 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(F)(F)C1 ZINC001303267892 1067795390 /nfs/dbraw/zinc/79/53/90/1067795390.db2.gz JGHWOUMMWVNMGG-UHFFFAOYSA-N 2 1 475.632 3.219 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001303268319 1067795984 /nfs/dbraw/zinc/79/59/84/1067795984.db2.gz FGSSYPIFXQJNAA-OYRHEFFESA-N 2 1 489.709 3.454 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001304725757 1067798041 /nfs/dbraw/zinc/79/80/41/1067798041.db2.gz IDIMUQAUEDRALV-OAQYLSRUSA-N 2 1 470.710 3.414 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001303270115 1067798851 /nfs/dbraw/zinc/79/88/51/1067798851.db2.gz GSWMUPFWKYASRS-UHFFFAOYSA-N 2 1 471.053 3.385 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001303270115 1067798856 /nfs/dbraw/zinc/79/88/56/1067798856.db2.gz GSWMUPFWKYASRS-UHFFFAOYSA-N 2 1 471.053 3.385 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001303270115 1067798860 /nfs/dbraw/zinc/79/88/60/1067798860.db2.gz GSWMUPFWKYASRS-UHFFFAOYSA-N 2 1 471.053 3.385 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001303274366 1067801812 /nfs/dbraw/zinc/80/18/12/1067801812.db2.gz DMIFDPCSHWKHNF-QHCPKHFHSA-N 2 1 462.683 3.189 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304739426 1067813178 /nfs/dbraw/zinc/81/31/78/1067813178.db2.gz DTWZRDGGJURIPB-ISKFKSNPSA-N 2 1 464.662 3.191 20 0 JGADMP CC(C)N1CC[NH+](C2CCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)CC2)CC1 ZINC001303316506 1067844025 /nfs/dbraw/zinc/84/40/25/1067844025.db2.gz BGUDWSJBQWHHIM-UHFFFAOYSA-N 2 1 470.710 3.387 20 0 JGADMP 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 1067845191 /nfs/dbraw/zinc/84/51/91/1067845191.db2.gz KYPYQIFOXBBJOW-OYRHEFFESA-N 2 1 470.710 3.428 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001304762925 1067850763 /nfs/dbraw/zinc/85/07/63/1067850763.db2.gz HGMQDVJXCRKBPX-XMMPIXPASA-N 2 1 470.710 3.286 20 0 JGADMP 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 1067856907 /nfs/dbraw/zinc/85/69/07/1067856907.db2.gz XPURIVODTWQLQP-HUVFLSCGSA-N 2 1 481.689 3.246 20 0 JGADMP 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 1067857024 /nfs/dbraw/zinc/85/70/24/1067857024.db2.gz XPURIVODTWQLQP-AGILITTLSA-N 2 1 481.689 3.246 20 0 JGADMP Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001304858819 1067908799 /nfs/dbraw/zinc/90/87/99/1067908799.db2.gz AUOAYMRZVRHSPH-ROKPMTFOSA-N 2 1 457.642 3.023 20 0 JGADMP Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001304858815 1067908808 /nfs/dbraw/zinc/90/88/08/1067908808.db2.gz AUOAYMRZVRHSPH-JXALWOEJSA-N 2 1 457.642 3.023 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001304916144 1067959829 /nfs/dbraw/zinc/95/98/29/1067959829.db2.gz DTQFJRJUIWZTRO-ZEQRLZLVSA-N 2 1 467.706 3.465 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001304923236 1067964738 /nfs/dbraw/zinc/96/47/38/1067964738.db2.gz AOBOGXATVZHHEK-ACESQOTJSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001304923236 1067964741 /nfs/dbraw/zinc/96/47/41/1067964741.db2.gz AOBOGXATVZHHEK-ACESQOTJSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001304924611 1067967710 /nfs/dbraw/zinc/96/77/10/1067967710.db2.gz IRXZMVULZWPSIP-VXKWHMMOSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926861 1067971726 /nfs/dbraw/zinc/97/17/26/1067971726.db2.gz UIVVOHIJNQBRLK-OYRHEFFESA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926861 1067971728 /nfs/dbraw/zinc/97/17/28/1067971728.db2.gz UIVVOHIJNQBRLK-OYRHEFFESA-N 2 1 487.718 3.168 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001304927225 1067972919 /nfs/dbraw/zinc/97/29/19/1067972919.db2.gz VVHUNTAQEVDPJT-CWBXHPNXSA-N 2 1 469.678 3.254 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001304927225 1067972923 /nfs/dbraw/zinc/97/29/23/1067972923.db2.gz VVHUNTAQEVDPJT-CWBXHPNXSA-N 2 1 469.678 3.254 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304979163 1068017228 /nfs/dbraw/zinc/01/72/28/1068017228.db2.gz LSESFWWZVHZENW-VVTBANEOSA-N 2 1 487.737 3.485 20 0 JGADMP 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 1068023636 /nfs/dbraw/zinc/02/36/36/1068023636.db2.gz GXLWKQIFLVIOKK-LVXARBLLSA-N 2 1 475.726 3.483 20 0 JGADMP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018711 1068064254 /nfs/dbraw/zinc/06/42/54/1068064254.db2.gz IXJGFQRZZUMITQ-VXKWHMMOSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018711 1068064270 /nfs/dbraw/zinc/06/42/70/1068064270.db2.gz IXJGFQRZZUMITQ-VXKWHMMOSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018710 1068064545 /nfs/dbraw/zinc/06/45/45/1068064545.db2.gz IXJGFQRZZUMITQ-FGZHOGPDSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018710 1068064557 /nfs/dbraw/zinc/06/45/57/1068064557.db2.gz IXJGFQRZZUMITQ-FGZHOGPDSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028724 1068086655 /nfs/dbraw/zinc/08/66/55/1068086655.db2.gz JDZUWKXCWPVEQS-VXKWHMMOSA-N 2 1 473.710 3.079 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001305040906 1068095246 /nfs/dbraw/zinc/09/52/46/1068095246.db2.gz AUVMYRBBTUXGKX-NRFANRHFSA-N 2 1 487.718 3.312 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001305040906 1068095263 /nfs/dbraw/zinc/09/52/63/1068095263.db2.gz AUVMYRBBTUXGKX-NRFANRHFSA-N 2 1 487.718 3.312 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001305048738 1068108554 /nfs/dbraw/zinc/10/85/54/1068108554.db2.gz LRRYDVRAMWCRCG-NVQXNPDNSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001305048738 1068108557 /nfs/dbraw/zinc/10/85/57/1068108557.db2.gz LRRYDVRAMWCRCG-NVQXNPDNSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001305048738 1068108561 /nfs/dbraw/zinc/10/85/61/1068108561.db2.gz LRRYDVRAMWCRCG-NVQXNPDNSA-N 2 1 476.710 3.361 20 0 JGADMP 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 1068180094 /nfs/dbraw/zinc/18/00/94/1068180094.db2.gz SVVXCCFLKVFFNG-ZEQRLZLVSA-N 2 1 487.737 3.485 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305112384 1068186793 /nfs/dbraw/zinc/18/67/93/1068186793.db2.gz LGDUVXZCRUXVLD-OYRHEFFESA-N 2 1 488.652 3.414 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134323 1068221631 /nfs/dbraw/zinc/22/16/31/1068221631.db2.gz DXHDEHKDHFJWLC-RLWLMLJZSA-N 2 1 476.710 3.217 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305146702 1068248101 /nfs/dbraw/zinc/24/81/01/1068248101.db2.gz PMVDYHCFFLXVPT-CTNGQTDRSA-N 2 1 476.069 3.269 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305146708 1068248278 /nfs/dbraw/zinc/24/82/78/1068248278.db2.gz PMVDYHCFFLXVPT-TZIWHRDSSA-N 2 1 476.069 3.269 20 0 JGADMP 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 1068278910 /nfs/dbraw/zinc/27/89/10/1068278910.db2.gz DLPSHEWPDIIYRT-BHIFYINESA-N 2 1 459.727 3.344 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[N@H+](C)C1CC1 ZINC001303726449 1068278924 /nfs/dbraw/zinc/27/89/24/1068278924.db2.gz DLPSHEWPDIIYRT-BHIFYINESA-N 2 1 459.727 3.344 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[N@@H+](C)C1CC1 ZINC001303726449 1068278941 /nfs/dbraw/zinc/27/89/41/1068278941.db2.gz DLPSHEWPDIIYRT-BHIFYINESA-N 2 1 459.727 3.344 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755320 1068318420 /nfs/dbraw/zinc/31/84/20/1068318420.db2.gz VWOZFINHUXXQFG-OZXSUGGESA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755315 1068318446 /nfs/dbraw/zinc/31/84/46/1068318446.db2.gz VWOZFINHUXXQFG-BVAGGSTKSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001305213267 1068345411 /nfs/dbraw/zinc/34/54/11/1068345411.db2.gz NKQLCCHSEVXCHX-REWPJTCUSA-N 2 1 491.080 3.398 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001305213267 1068345429 /nfs/dbraw/zinc/34/54/29/1068345429.db2.gz NKQLCCHSEVXCHX-REWPJTCUSA-N 2 1 491.080 3.398 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001305223221 1068364190 /nfs/dbraw/zinc/36/41/90/1068364190.db2.gz SEMWSPIMPJVABG-JTHBVZDNSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305223221 1068364197 /nfs/dbraw/zinc/36/41/97/1068364197.db2.gz SEMWSPIMPJVABG-JTHBVZDNSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305223221 1068364207 /nfs/dbraw/zinc/36/42/07/1068364207.db2.gz SEMWSPIMPJVABG-JTHBVZDNSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303902133 1068545437 /nfs/dbraw/zinc/54/54/37/1068545437.db2.gz LZNLGFILOLIKGX-NFBKMPQASA-N 2 1 474.625 3.198 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303902133 1068545448 /nfs/dbraw/zinc/54/54/48/1068545448.db2.gz LZNLGFILOLIKGX-NFBKMPQASA-N 2 1 474.625 3.198 20 0 JGADMP CC[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305378469 1068630992 /nfs/dbraw/zinc/63/09/92/1068630992.db2.gz WHUOHAWRVPPCHU-WMZHIEFXSA-N 2 1 452.713 3.024 20 0 JGADMP 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 1068652598 /nfs/dbraw/zinc/65/25/98/1068652598.db2.gz ZNGBADAQVOBCPA-KELBGUDLSA-N 2 1 487.737 3.293 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305504005 1068738938 /nfs/dbraw/zinc/73/89/38/1068738938.db2.gz GZOIHIRHJWPQLO-ISKFKSNPSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305504005 1068738949 /nfs/dbraw/zinc/73/89/49/1068738949.db2.gz GZOIHIRHJWPQLO-ISKFKSNPSA-N 2 1 487.737 3.437 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001305512492 1068754477 /nfs/dbraw/zinc/75/44/77/1068754477.db2.gz XVOUTTIGSLHOBV-GOTSBHOMSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305512492 1068754483 /nfs/dbraw/zinc/75/44/83/1068754483.db2.gz XVOUTTIGSLHOBV-GOTSBHOMSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@@H]1CC ZINC001305512492 1068754493 /nfs/dbraw/zinc/75/44/93/1068754493.db2.gz XVOUTTIGSLHOBV-GOTSBHOMSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@@H]1CC ZINC001305512492 1068754502 /nfs/dbraw/zinc/75/45/02/1068754502.db2.gz XVOUTTIGSLHOBV-GOTSBHOMSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512604 1068755284 /nfs/dbraw/zinc/75/52/84/1068755284.db2.gz GFBBMWIWSIOXEN-FIXSFTCYSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001305512604 1068755296 /nfs/dbraw/zinc/75/52/96/1068755296.db2.gz GFBBMWIWSIOXEN-FIXSFTCYSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001305512604 1068755304 /nfs/dbraw/zinc/75/53/04/1068755304.db2.gz GFBBMWIWSIOXEN-FIXSFTCYSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305520223 1068771375 /nfs/dbraw/zinc/77/13/75/1068771375.db2.gz UOIIELMSQHTTPS-OFNKIYASSA-N 2 1 454.663 3.327 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305532129 1068788876 /nfs/dbraw/zinc/78/88/76/1068788876.db2.gz ZERQYDHLBFNJCR-UKILVPOCSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538443 1068802942 /nfs/dbraw/zinc/80/29/42/1068802942.db2.gz WRQYWTKCRLHFDM-RTWAWAEBSA-N 2 1 476.710 3.371 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538444 1068803017 /nfs/dbraw/zinc/80/30/17/1068803017.db2.gz WRQYWTKCRLHFDM-SFTDATJTSA-N 2 1 476.710 3.371 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305539251 1068806630 /nfs/dbraw/zinc/80/66/30/1068806630.db2.gz DFCSPQBYPJDYTG-XUZZJYLKSA-N 2 1 454.663 3.269 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305539255 1068807041 /nfs/dbraw/zinc/80/70/41/1068807041.db2.gz DFCSPQBYPJDYTG-ZJSXRUAMSA-N 2 1 454.663 3.269 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305540744 1068810548 /nfs/dbraw/zinc/81/05/48/1068810548.db2.gz FFXWKRSHVGKDNG-OYDLWJJNSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001305544445 1068821032 /nfs/dbraw/zinc/82/10/32/1068821032.db2.gz HZMGURYNKADKCB-XUZZJYLKSA-N 2 1 468.690 3.438 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546019 1068824169 /nfs/dbraw/zinc/82/41/69/1068824169.db2.gz QEPWAFZSTMUSPV-DHIUTWEWSA-N 2 1 476.710 3.231 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305545744 1068824315 /nfs/dbraw/zinc/82/43/15/1068824315.db2.gz YKGYDAQCOZCSHU-OAQYLSRUSA-N 2 1 473.735 3.244 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546022 1068824471 /nfs/dbraw/zinc/82/44/71/1068824471.db2.gz QEPWAFZSTMUSPV-XZOQPEGZSA-N 2 1 476.710 3.231 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001305608881 1068880382 /nfs/dbraw/zinc/88/03/82/1068880382.db2.gz VBCQRIBKTUEYJH-HXUWFJFHSA-N 2 1 488.080 3.073 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305609564 1068882515 /nfs/dbraw/zinc/88/25/15/1068882515.db2.gz WBWIXUSYZCFOMP-IBGZPJMESA-N 2 1 476.069 3.272 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611535 1068886062 /nfs/dbraw/zinc/88/60/62/1068886062.db2.gz MEPNCQWRCZLLQU-VSKRKVRLSA-N 2 1 469.678 3.396 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611535 1068886070 /nfs/dbraw/zinc/88/60/70/1068886070.db2.gz MEPNCQWRCZLLQU-VSKRKVRLSA-N 2 1 469.678 3.396 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611535 1068886077 /nfs/dbraw/zinc/88/60/77/1068886077.db2.gz MEPNCQWRCZLLQU-VSKRKVRLSA-N 2 1 469.678 3.396 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001305614076 1068890734 /nfs/dbraw/zinc/89/07/34/1068890734.db2.gz JFVLOODTTYFGQZ-NFBKMPQASA-N 2 1 467.662 3.060 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001305615482 1068893689 /nfs/dbraw/zinc/89/36/89/1068893689.db2.gz WPSMZJZZRXOZJS-BHDDXSALSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001305615482 1068893700 /nfs/dbraw/zinc/89/37/00/1068893700.db2.gz WPSMZJZZRXOZJS-BHDDXSALSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305615482 1068893706 /nfs/dbraw/zinc/89/37/06/1068893706.db2.gz WPSMZJZZRXOZJS-BHDDXSALSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616209 1068895722 /nfs/dbraw/zinc/89/57/22/1068895722.db2.gz UJLQRDKNNBOAEV-XQUALCHDSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616209 1068895727 /nfs/dbraw/zinc/89/57/27/1068895727.db2.gz UJLQRDKNNBOAEV-XQUALCHDSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001305616209 1068895736 /nfs/dbraw/zinc/89/57/36/1068895736.db2.gz UJLQRDKNNBOAEV-XQUALCHDSA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305617792 1068899657 /nfs/dbraw/zinc/89/96/57/1068899657.db2.gz ANZHQQXYSQLCKT-SFTDATJTSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305617792 1068899665 /nfs/dbraw/zinc/89/96/65/1068899665.db2.gz ANZHQQXYSQLCKT-SFTDATJTSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305617792 1068899674 /nfs/dbraw/zinc/89/96/74/1068899674.db2.gz ANZHQQXYSQLCKT-SFTDATJTSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305617792 1068899683 /nfs/dbraw/zinc/89/96/83/1068899683.db2.gz ANZHQQXYSQLCKT-SFTDATJTSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305618712 1068902191 /nfs/dbraw/zinc/90/21/91/1068902191.db2.gz DGPADDZSDKYEJB-UYAOXDASSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305618712 1068902201 /nfs/dbraw/zinc/90/22/01/1068902201.db2.gz DGPADDZSDKYEJB-UYAOXDASSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305618712 1068902212 /nfs/dbraw/zinc/90/22/12/1068902212.db2.gz DGPADDZSDKYEJB-UYAOXDASSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305618712 1068902219 /nfs/dbraw/zinc/90/22/19/1068902219.db2.gz DGPADDZSDKYEJB-UYAOXDASSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001305619241 1068902892 /nfs/dbraw/zinc/90/28/92/1068902892.db2.gz FVIPTKPVAFSURT-PCCBWWKXSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305619241 1068902902 /nfs/dbraw/zinc/90/29/02/1068902902.db2.gz FVIPTKPVAFSURT-PCCBWWKXSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001305619241 1068902907 /nfs/dbraw/zinc/90/29/07/1068902907.db2.gz FVIPTKPVAFSURT-PCCBWWKXSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001305620507 1068905428 /nfs/dbraw/zinc/90/54/28/1068905428.db2.gz LONOPXSVBKPUCH-UXHICEINSA-N 2 1 473.691 3.076 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001305620507 1068905445 /nfs/dbraw/zinc/90/54/45/1068905445.db2.gz LONOPXSVBKPUCH-UXHICEINSA-N 2 1 473.691 3.076 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305622247 1068911316 /nfs/dbraw/zinc/91/13/16/1068911316.db2.gz OUTKHUQBNPYXHC-WBADGQHESA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001305622247 1068911323 /nfs/dbraw/zinc/91/13/23/1068911323.db2.gz OUTKHUQBNPYXHC-WBADGQHESA-N 2 1 476.710 3.086 20 0 JGADMP CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305677067 1069031692 /nfs/dbraw/zinc/03/16/92/1069031692.db2.gz WEAZZNOMIVDKGZ-JWQCQUIFSA-N 2 1 495.716 3.293 20 0 JGADMP CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC001305704342 1069090481 /nfs/dbraw/zinc/09/04/81/1069090481.db2.gz FAJSHLUJPFPKPU-NZQKXSOJSA-N 2 1 473.710 3.191 20 0 JGADMP CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001305704967 1069092208 /nfs/dbraw/zinc/09/22/08/1069092208.db2.gz HGIMYOHAUSBLQK-XMMPIXPASA-N 2 1 479.677 3.152 20 0 JGADMP CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001305708823 1069101980 /nfs/dbraw/zinc/10/19/80/1069101980.db2.gz YOKNUAQRGORKFQ-YKSBVNFPSA-N 2 1 471.694 3.340 20 0 JGADMP CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305713334 1069115411 /nfs/dbraw/zinc/11/54/11/1069115411.db2.gz GRYPYJUCTDMNSU-VWNXMTODSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305713334 1069115414 /nfs/dbraw/zinc/11/54/14/1069115414.db2.gz GRYPYJUCTDMNSU-VWNXMTODSA-N 2 1 470.662 3.053 20 0 JGADMP 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 1069159099 /nfs/dbraw/zinc/15/90/99/1069159099.db2.gz AXXFISWTOBPCJF-FDFHNCONSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001305736661 1069159101 /nfs/dbraw/zinc/15/91/01/1069159101.db2.gz AXXFISWTOBPCJF-FDFHNCONSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001305736661 1069159105 /nfs/dbraw/zinc/15/91/05/1069159105.db2.gz AXXFISWTOBPCJF-FDFHNCONSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305737649 1069161643 /nfs/dbraw/zinc/16/16/43/1069161643.db2.gz KUVIAELVUGXLKO-PMACEKPBSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305737649 1069161647 /nfs/dbraw/zinc/16/16/47/1069161647.db2.gz KUVIAELVUGXLKO-PMACEKPBSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305737649 1069161651 /nfs/dbraw/zinc/16/16/51/1069161651.db2.gz KUVIAELVUGXLKO-PMACEKPBSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCn1cc[nH+]c1C ZINC001305769280 1069243575 /nfs/dbraw/zinc/24/35/75/1069243575.db2.gz PPYCSUPOUUCKHY-QFIPXVFZSA-N 2 1 484.693 3.350 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001305788190 1069296221 /nfs/dbraw/zinc/29/62/21/1069296221.db2.gz SCCGCPQENSNQDG-UHFFFAOYSA-N 2 1 487.718 3.456 20 0 JGADMP OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402604 718853502 /nfs/dbraw/zinc/85/35/02/718853502.db2.gz GNWAXBZLHGMTKY-HJPURHCSSA-N 2 1 455.653 3.424 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164417984 718892658 /nfs/dbraw/zinc/89/26/58/718892658.db2.gz MJVHEYIMVOPXBD-AUSIDOKSSA-N 2 1 457.663 3.239 20 0 JGADMP CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164660742 719352543 /nfs/dbraw/zinc/35/25/43/719352543.db2.gz YIZUKUGKSPUGHS-UHFFFAOYSA-N 2 1 472.641 3.099 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2ncn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164683946 719612691 /nfs/dbraw/zinc/61/26/91/719612691.db2.gz LQLWONFTBKRZFJ-UHFFFAOYSA-N 2 1 450.978 3.200 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2ncn3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001164683946 719612696 /nfs/dbraw/zinc/61/26/96/719612696.db2.gz LQLWONFTBKRZFJ-UHFFFAOYSA-N 2 1 450.978 3.200 20 0 JGADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680983 719655078 /nfs/dbraw/zinc/65/50/78/719655078.db2.gz KOYRSOHFJXXCHU-HXUWFJFHSA-N 2 1 450.631 3.026 20 0 JGADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N4CCC([NH3+])CC4)n3)CC2)c2ccccc21 ZINC001164684122 719675159 /nfs/dbraw/zinc/67/51/59/719675159.db2.gz SFSFAIWUYSURSF-QFIPXVFZSA-N 2 1 490.696 3.103 20 0 JGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715620 720203309 /nfs/dbraw/zinc/20/33/09/720203309.db2.gz LHUZJZIRHBCQSH-ISKFKSNPSA-N 2 1 467.662 3.363 20 0 JGADMP COc1ccc(CN(C)c2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)n2)cc1 ZINC001164822303 720350498 /nfs/dbraw/zinc/35/04/98/720350498.db2.gz DHLSAXCKYAUJRU-BJKOFHAPSA-N 2 1 478.641 3.033 20 0 JGADMP c1nc2n(c1-c1cccnc1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C21CC[NH2+]CC1 ZINC001164844372 720742375 /nfs/dbraw/zinc/74/23/75/720742375.db2.gz QJNQLLJYIKMNBO-UHFFFAOYSA-N 2 1 492.631 3.392 20 0 JGADMP c1nc2n(c1-c1cccnc1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C21CC[NH2+]CC1 ZINC001164844372 720742382 /nfs/dbraw/zinc/74/23/82/720742382.db2.gz QJNQLLJYIKMNBO-UHFFFAOYSA-N 2 1 492.631 3.392 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3nc(C(=O)N4CCC[C@H]4C)c4c3CC[NH2+]C4)c2c1C ZINC001164849989 720806302 /nfs/dbraw/zinc/80/63/02/720806302.db2.gz HQHTZLSORDOAJE-OAHLLOKOSA-N 2 1 479.654 3.360 20 0 JGADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747233 720867667 /nfs/dbraw/zinc/86/76/67/720867667.db2.gz ATIPPAMBYQUZHV-ZEQKJWHPSA-N 2 1 450.631 3.391 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164859339 720876296 /nfs/dbraw/zinc/87/62/96/720876296.db2.gz MTILSOOOFMICNJ-WOJBJXKFSA-N 2 1 461.676 3.323 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)n1 ZINC001164859339 720876297 /nfs/dbraw/zinc/87/62/97/720876297.db2.gz MTILSOOOFMICNJ-WOJBJXKFSA-N 2 1 461.676 3.323 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757904 720893515 /nfs/dbraw/zinc/89/35/15/720893515.db2.gz WHRZWWAURURJCK-KCWPFWIISA-N 2 1 476.625 3.228 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757904 720893517 /nfs/dbraw/zinc/89/35/17/720893517.db2.gz WHRZWWAURURJCK-KCWPFWIISA-N 2 1 476.625 3.228 20 0 JGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751778 720899505 /nfs/dbraw/zinc/89/95/05/720899505.db2.gz DOZKLDYMQJQATC-IGKIAQTJSA-N 2 1 462.642 3.094 20 0 JGADMP 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 721246563 /nfs/dbraw/zinc/24/65/63/721246563.db2.gz RPUNKQYSTRRVQJ-OALUTQOASA-N 2 1 462.976 3.348 20 0 JGADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885514 721453111 /nfs/dbraw/zinc/45/31/11/721453111.db2.gz FBPXRUJSAHAWQQ-QPPBQGQZSA-N 2 1 496.046 3.422 20 0 JGADMP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]ccc4c2ccn4Cc2ccccc2)CC3)CC1 ZINC001164997862 722234872 /nfs/dbraw/zinc/23/48/72/722234872.db2.gz YBEZIOCLZNAGPN-UHFFFAOYSA-N 2 1 453.594 3.232 20 0 JGADMP C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCC2 ZINC001164999959 722252090 /nfs/dbraw/zinc/25/20/90/722252090.db2.gz KAGKDEVAPNBDSQ-UHFFFAOYSA-N 2 1 460.626 3.325 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCCC1 ZINC001298240289 1064145407 /nfs/dbraw/zinc/14/54/07/1064145407.db2.gz PYPVBYCFECENDT-UHFFFAOYSA-N 2 1 475.081 3.413 20 0 JGADMP C[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706225 1064512480 /nfs/dbraw/zinc/51/24/80/1064512480.db2.gz QXCWAENTQUNRBQ-OAQYLSRUSA-N 2 1 459.683 3.052 20 0 JGADMP C[N@H+]1CC[C@](O)(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298882311 1064689398 /nfs/dbraw/zinc/68/93/98/1064689398.db2.gz UIQSMQSWTBBOFG-HHHXNRCGSA-N 2 1 484.689 3.142 20 0 JGADMP CO[C@]1(C)CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299768189 1064964996 /nfs/dbraw/zinc/96/49/96/1064964996.db2.gz LISCBODJFXUOLA-MUUNZHRXSA-N 2 1 497.732 3.378 20 0 JGADMP COc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC001299892760 1065121295 /nfs/dbraw/zinc/12/12/95/1065121295.db2.gz LSMFNXZGWAJNGS-GOSISDBHSA-N 2 1 468.602 3.136 20 0 JGADMP Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001492253603 1065353886 /nfs/dbraw/zinc/35/38/86/1065353886.db2.gz GEVVJSFCZFBGNC-UHFFFAOYSA-N 2 1 464.618 3.319 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492265710 1065358141 /nfs/dbraw/zinc/35/81/41/1065358141.db2.gz DFNBKPULGWVKJE-DEOSSOPVSA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492265710 1065358152 /nfs/dbraw/zinc/35/81/52/1065358152.db2.gz DFNBKPULGWVKJE-DEOSSOPVSA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492265807 1065358849 /nfs/dbraw/zinc/35/88/49/1065358849.db2.gz KEGXBTVZNIPNLX-NRFANRHFSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001492265807 1065358853 /nfs/dbraw/zinc/35/88/53/1065358853.db2.gz KEGXBTVZNIPNLX-NRFANRHFSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[NH+]2CC=CCC2)cc1C ZINC001492265962 1065360425 /nfs/dbraw/zinc/36/04/25/1065360425.db2.gz LLYOCSHJMGEPRI-UHFFFAOYSA-N 2 1 465.646 3.330 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@H+]2CC=CCC2)cc1C ZINC001492265962 1065360437 /nfs/dbraw/zinc/36/04/37/1065360437.db2.gz LLYOCSHJMGEPRI-UHFFFAOYSA-N 2 1 465.646 3.330 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[NH+](C(C)C)CC3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001492265962 1065360449 /nfs/dbraw/zinc/36/04/49/1065360449.db2.gz LLYOCSHJMGEPRI-UHFFFAOYSA-N 2 1 465.646 3.330 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001492267197 1065363069 /nfs/dbraw/zinc/36/30/69/1065363069.db2.gz PQSMFDRGYKJSGG-NQIIRXRSSA-N 2 1 467.662 3.408 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492383275 1065447015 /nfs/dbraw/zinc/44/70/15/1065447015.db2.gz QGGDHKDHHVREBG-XMMPIXPASA-N 2 1 470.662 3.053 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302065906 1066466213 /nfs/dbraw/zinc/46/62/13/1066466213.db2.gz AALNLGMPALIRRI-YADHBBJMSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001302065906 1066466217 /nfs/dbraw/zinc/46/62/17/1066466217.db2.gz AALNLGMPALIRRI-YADHBBJMSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001302065906 1066466224 /nfs/dbraw/zinc/46/62/24/1066466224.db2.gz AALNLGMPALIRRI-YADHBBJMSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001302068908 1066472684 /nfs/dbraw/zinc/47/26/84/1066472684.db2.gz RTCPHTZRJAXWHF-NRFANRHFSA-N 2 1 450.672 3.189 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302068820 1066472698 /nfs/dbraw/zinc/47/26/98/1066472698.db2.gz PYIBJWOEXVOIBR-FBLLAGFSSA-N 2 1 464.699 3.433 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001302091648 1066519219 /nfs/dbraw/zinc/51/92/19/1066519219.db2.gz FWSIJLAIHWBZKG-FDFHNCONSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001302096830 1066527995 /nfs/dbraw/zinc/52/79/95/1066527995.db2.gz VHUJAAXPGIYDAX-QHCPKHFHSA-N 2 1 472.653 3.274 20 0 JGADMP CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001302096830 1066528005 /nfs/dbraw/zinc/52/80/05/1066528005.db2.gz VHUJAAXPGIYDAX-QHCPKHFHSA-N 2 1 472.653 3.274 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708026 1066598785 /nfs/dbraw/zinc/59/87/85/1066598785.db2.gz GZFLWUPBRSVHHV-QPPBQGQZSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708026 1066598793 /nfs/dbraw/zinc/59/87/93/1066598793.db2.gz GZFLWUPBRSVHHV-QPPBQGQZSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708026 1066598804 /nfs/dbraw/zinc/59/88/04/1066598804.db2.gz GZFLWUPBRSVHHV-QPPBQGQZSA-N 2 1 473.710 3.045 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301712600 1066609225 /nfs/dbraw/zinc/60/92/25/1066609225.db2.gz FSBQQOOBTFYIRG-UHFFFAOYSA-N 2 1 496.498 3.315 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301712600 1066609229 /nfs/dbraw/zinc/60/92/29/1066609229.db2.gz FSBQQOOBTFYIRG-UHFFFAOYSA-N 2 1 496.498 3.315 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301712600 1066609236 /nfs/dbraw/zinc/60/92/36/1066609236.db2.gz FSBQQOOBTFYIRG-UHFFFAOYSA-N 2 1 496.498 3.315 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001302164153 1066624451 /nfs/dbraw/zinc/62/44/51/1066624451.db2.gz JAJYHPKPIUKIEQ-XUTJKUGGSA-N 2 1 450.668 3.382 20 0 JGADMP CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001302201708 1066696696 /nfs/dbraw/zinc/69/66/96/1066696696.db2.gz ASDHZAJEUHNSJL-HXUWFJFHSA-N 2 1 490.643 3.305 20 0 JGADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301767836 1066710608 /nfs/dbraw/zinc/71/06/08/1066710608.db2.gz RNOISHARCQQEOA-RDGATRHJSA-N 2 1 487.737 3.118 20 0 JGADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001301768801 1066712393 /nfs/dbraw/zinc/71/23/93/1066712393.db2.gz YTFWNBCQQSWPSZ-VWNXMTODSA-N 2 1 473.710 3.047 20 0 JGADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001301768800 1066712464 /nfs/dbraw/zinc/71/24/64/1066712464.db2.gz YTFWNBCQQSWPSZ-UPVQGACJSA-N 2 1 473.710 3.047 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301873873 1066874184 /nfs/dbraw/zinc/87/41/84/1066874184.db2.gz BNSSVRGYMOEXPQ-HSZRJFAPSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301873873 1066874191 /nfs/dbraw/zinc/87/41/91/1066874191.db2.gz BNSSVRGYMOEXPQ-HSZRJFAPSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001301885221 1066893368 /nfs/dbraw/zinc/89/33/68/1066893368.db2.gz GTAMRTGXKJUJCC-UHFFFAOYSA-N 2 1 491.478 3.208 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001301886104 1066895826 /nfs/dbraw/zinc/89/58/26/1066895826.db2.gz RMPHSMOGSJJYNG-VXKWHMMOSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301887238 1066899137 /nfs/dbraw/zinc/89/91/37/1066899137.db2.gz GKVQCLNFDAZMNT-QGZVFWFLSA-N 2 1 495.441 3.099 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001301891889 1066912729 /nfs/dbraw/zinc/91/27/29/1066912729.db2.gz RQKQHWNJSXEJER-VXKWHMMOSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001301895838 1066916382 /nfs/dbraw/zinc/91/63/82/1066916382.db2.gz APUHISMVAUVOMJ-YADHBBJMSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001301895838 1066916393 /nfs/dbraw/zinc/91/63/93/1066916393.db2.gz APUHISMVAUVOMJ-YADHBBJMSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001301895838 1066916399 /nfs/dbraw/zinc/91/63/99/1066916399.db2.gz APUHISMVAUVOMJ-YADHBBJMSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917954 /nfs/dbraw/zinc/91/79/54/1066917954.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917960 /nfs/dbraw/zinc/91/79/60/1066917960.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917962 /nfs/dbraw/zinc/91/79/62/1066917962.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301898327 1066922364 /nfs/dbraw/zinc/92/23/64/1066922364.db2.gz LBQILEVSHOYVPY-REWPJTCUSA-N 2 1 451.619 3.041 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001301898325 1066922446 /nfs/dbraw/zinc/92/24/46/1066922446.db2.gz LBQILEVSHOYVPY-NZQKXSOJSA-N 2 1 451.619 3.041 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909368 1066933091 /nfs/dbraw/zinc/93/30/91/1066933091.db2.gz AHUYDQBKLTZLBQ-CVDCTZTESA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909368 1066933099 /nfs/dbraw/zinc/93/30/99/1066933099.db2.gz AHUYDQBKLTZLBQ-CVDCTZTESA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301909368 1066933108 /nfs/dbraw/zinc/93/31/08/1066933108.db2.gz AHUYDQBKLTZLBQ-CVDCTZTESA-N 2 1 490.643 3.424 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC001301909985 1066934330 /nfs/dbraw/zinc/93/43/30/1066934330.db2.gz AYXIIOZNIPVQBE-LADGPHEKSA-N 2 1 476.710 3.435 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941201 /nfs/dbraw/zinc/94/12/01/1066941201.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941212 /nfs/dbraw/zinc/94/12/12/1066941212.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941219 /nfs/dbraw/zinc/94/12/19/1066941219.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 2 1 498.716 3.315 20 0 JGADMP 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 1066943085 /nfs/dbraw/zinc/94/30/85/1066943085.db2.gz NSSGMOBLIZUPSR-ACESQOTJSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001301913942 1066943093 /nfs/dbraw/zinc/94/30/93/1066943093.db2.gz NSSGMOBLIZUPSR-ACESQOTJSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001301913942 1066943104 /nfs/dbraw/zinc/94/31/04/1066943104.db2.gz NSSGMOBLIZUPSR-ACESQOTJSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301920891 1066954213 /nfs/dbraw/zinc/95/42/13/1066954213.db2.gz DMGDWHNIDHVGTH-FQEVSTJZSA-N 2 1 460.673 3.063 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001301921252 1066954593 /nfs/dbraw/zinc/95/45/93/1066954593.db2.gz RXUBCMMHMSCKPV-FGZHOGPDSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301922726 1066956401 /nfs/dbraw/zinc/95/64/01/1066956401.db2.gz YNSQDERUFIUWAT-NHTMILBNSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301922726 1066956410 /nfs/dbraw/zinc/95/64/10/1066956410.db2.gz YNSQDERUFIUWAT-NHTMILBNSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001301922726 1066956417 /nfs/dbraw/zinc/95/64/17/1066956417.db2.gz YNSQDERUFIUWAT-NHTMILBNSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301927573 1066963488 /nfs/dbraw/zinc/96/34/88/1066963488.db2.gz JRMDIYGHJIPHQE-GOTSBHOMSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301927573 1066963497 /nfs/dbraw/zinc/96/34/97/1066963497.db2.gz JRMDIYGHJIPHQE-GOTSBHOMSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301927573 1066963510 /nfs/dbraw/zinc/96/35/10/1066963510.db2.gz JRMDIYGHJIPHQE-GOTSBHOMSA-N 2 1 470.662 3.054 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001301927773 1066963964 /nfs/dbraw/zinc/96/39/64/1066963964.db2.gz NNKQFPSYPIYHPJ-QHCPKHFHSA-N 2 1 470.662 3.117 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301928920 1066966448 /nfs/dbraw/zinc/96/64/48/1066966448.db2.gz YDJKPHBRWWMKRX-VWNXMTODSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928920 1066966460 /nfs/dbraw/zinc/96/64/60/1066966460.db2.gz YDJKPHBRWWMKRX-VWNXMTODSA-N 2 1 484.689 3.443 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301928920 1066966468 /nfs/dbraw/zinc/96/64/68/1066966468.db2.gz YDJKPHBRWWMKRX-VWNXMTODSA-N 2 1 484.689 3.443 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)c1C ZINC001304018588 1067062492 /nfs/dbraw/zinc/06/24/92/1067062492.db2.gz FOLCYASDMRAGCH-MZEQIWSPSA-N 2 1 470.662 3.286 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCOCC[NH+](C)C)c1C ZINC001304019791 1067064050 /nfs/dbraw/zinc/06/40/50/1067064050.db2.gz KSTIRBGYEOUZIY-MZYLBHOOSA-N 2 1 470.662 3.286 20 0 JGADMP CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001302523890 1067145081 /nfs/dbraw/zinc/14/50/81/1067145081.db2.gz LPMLXHCNJCZCFX-XZOQPEGZSA-N 2 1 476.710 3.087 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001304139893 1067180529 /nfs/dbraw/zinc/18/05/29/1067180529.db2.gz PIXOCCMJFZJHHH-SFHLNBCPSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001304139893 1067180531 /nfs/dbraw/zinc/18/05/31/1067180531.db2.gz PIXOCCMJFZJHHH-SFHLNBCPSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171561 1067219212 /nfs/dbraw/zinc/21/92/12/1067219212.db2.gz RVYHQCMKNJDJAA-ZCYQVOJMSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171561 1067219218 /nfs/dbraw/zinc/21/92/18/1067219218.db2.gz RVYHQCMKNJDJAA-ZCYQVOJMSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[N@H+](C(C)C)CC2)[NH+](C)C)cc1 ZINC001304271466 1067306818 /nfs/dbraw/zinc/30/68/18/1067306818.db2.gz CJJYSSDXWFUYME-HSZRJFAPSA-N 2 1 450.635 3.210 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302690499 1067315098 /nfs/dbraw/zinc/31/50/98/1067315098.db2.gz QDKDHBKGCASLFK-QHCPKHFHSA-N 2 1 484.689 3.228 20 0 JGADMP Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)[NH+](C)C)cc1 ZINC001304279298 1067319609 /nfs/dbraw/zinc/31/96/09/1067319609.db2.gz UDMYQIAFWVAKQH-UPVQGACJSA-N 2 1 454.663 3.246 20 0 JGADMP CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802575 1067391068 /nfs/dbraw/zinc/39/10/68/1067391068.db2.gz FWEGRHWWXCYQQE-BJKOFHAPSA-N 2 1 481.689 3.201 20 0 JGADMP CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802578 1067391115 /nfs/dbraw/zinc/39/11/15/1067391115.db2.gz FWEGRHWWXCYQQE-ZEQRLZLVSA-N 2 1 481.689 3.201 20 0 JGADMP CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](C)C ZINC001302805116 1067393209 /nfs/dbraw/zinc/39/32/09/1067393209.db2.gz WPXRBHJNDFXSGA-JOCHJYFZSA-N 2 1 484.693 3.309 20 0 JGADMP CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001302808847 1067396982 /nfs/dbraw/zinc/39/69/82/1067396982.db2.gz ROVAHCBWQLXKKJ-DLBZAZTESA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001302808847 1067396992 /nfs/dbraw/zinc/39/69/92/1067396992.db2.gz ROVAHCBWQLXKKJ-DLBZAZTESA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302856879 1067440057 /nfs/dbraw/zinc/44/00/57/1067440057.db2.gz DEFSQBZQNHDAOK-QFIPXVFZSA-N 2 1 460.642 3.466 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001302856879 1067440062 /nfs/dbraw/zinc/44/00/62/1067440062.db2.gz DEFSQBZQNHDAOK-QFIPXVFZSA-N 2 1 460.642 3.466 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CCc2ccccc2C1 ZINC001302857243 1067440089 /nfs/dbraw/zinc/44/00/89/1067440089.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 2 1 454.663 3.080 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CCc2ccccc2C1 ZINC001302857243 1067440092 /nfs/dbraw/zinc/44/00/92/1067440092.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 2 1 454.663 3.080 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001302857243 1067440094 /nfs/dbraw/zinc/44/00/94/1067440094.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 2 1 454.663 3.080 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001302857243 1067440097 /nfs/dbraw/zinc/44/00/97/1067440097.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 2 1 454.663 3.080 20 0 JGADMP CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CCC(C)CC1 ZINC001302858278 1067441017 /nfs/dbraw/zinc/44/10/17/1067441017.db2.gz DTYADGHFXOXJCK-WIOPSUGQSA-N 2 1 470.710 3.461 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001304415987 1067487805 /nfs/dbraw/zinc/48/78/05/1067487805.db2.gz JGXISJOFHNLYQJ-UHFFFAOYSA-N 2 1 470.662 3.197 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904915 1067489224 /nfs/dbraw/zinc/48/92/24/1067489224.db2.gz DAUFHZCJSHAQSP-VWPQPMDRSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904915 1067489230 /nfs/dbraw/zinc/48/92/30/1067489230.db2.gz DAUFHZCJSHAQSP-VWPQPMDRSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904915 1067489233 /nfs/dbraw/zinc/48/92/33/1067489233.db2.gz DAUFHZCJSHAQSP-VWPQPMDRSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001302904915 1067489237 /nfs/dbraw/zinc/48/92/37/1067489237.db2.gz DAUFHZCJSHAQSP-VWPQPMDRSA-N 2 1 455.651 3.006 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905726 1067490813 /nfs/dbraw/zinc/49/08/13/1067490813.db2.gz VQWSOTABCXBGLM-JSRBNTPPSA-N 2 1 470.662 3.020 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905726 1067490818 /nfs/dbraw/zinc/49/08/18/1067490818.db2.gz VQWSOTABCXBGLM-JSRBNTPPSA-N 2 1 470.662 3.020 20 0 JGADMP Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC[NH+]2CCCCC2)n1 ZINC001304453374 1067534756 /nfs/dbraw/zinc/53/47/56/1067534756.db2.gz OCKOAIOJRAQPTO-UHFFFAOYSA-N 2 1 469.678 3.319 20 0 JGADMP Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304536605 1067607508 /nfs/dbraw/zinc/60/75/08/1067607508.db2.gz CRMVTXAPUVAMIF-PSWAGMNNSA-N 2 1 484.689 3.300 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001304550715 1067620116 /nfs/dbraw/zinc/62/01/16/1067620116.db2.gz MFZGXSIZTNXEAS-DEOSSOPVSA-N 2 1 468.690 3.455 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001303184765 1067718510 /nfs/dbraw/zinc/71/85/10/1067718510.db2.gz OVYRLBBZVQDYHF-UHFFFAOYSA-N 2 1 488.702 3.001 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)cs1 ZINC001304656043 1067724373 /nfs/dbraw/zinc/72/43/73/1067724373.db2.gz FLJUNFUDKGETOD-UXHICEINSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)cs1 ZINC001304656043 1067724377 /nfs/dbraw/zinc/72/43/77/1067724377.db2.gz FLJUNFUDKGETOD-UXHICEINSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656043 1067724389 /nfs/dbraw/zinc/72/43/89/1067724389.db2.gz FLJUNFUDKGETOD-UXHICEINSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001304656043 1067724397 /nfs/dbraw/zinc/72/43/97/1067724397.db2.gz FLJUNFUDKGETOD-UXHICEINSA-N 2 1 489.734 3.301 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001303196070 1067729402 /nfs/dbraw/zinc/72/94/02/1067729402.db2.gz OUQIBSGGWGESEV-QFIPXVFZSA-N 2 1 488.080 3.135 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001303196069 1067729492 /nfs/dbraw/zinc/72/94/92/1067729492.db2.gz OUQIBSGGWGESEV-JOCHJYFZSA-N 2 1 488.080 3.135 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303198561 1067733743 /nfs/dbraw/zinc/73/37/43/1067733743.db2.gz FFCLJFUSCIANNK-SZPZYZBQSA-N 2 1 488.652 3.274 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001304666473 1067733867 /nfs/dbraw/zinc/73/38/67/1067733867.db2.gz QCFLEYKCYUPXLP-IBGZPJMESA-N 2 1 475.707 3.102 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001304667919 1067736376 /nfs/dbraw/zinc/73/63/76/1067736376.db2.gz LINNQYLUEXSQID-FQEVSTJZSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCO[C@@H](C)C2)cs1 ZINC001304667919 1067736385 /nfs/dbraw/zinc/73/63/85/1067736385.db2.gz LINNQYLUEXSQID-FQEVSTJZSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCO[C@@H](C)C2)cs1 ZINC001304667919 1067736393 /nfs/dbraw/zinc/73/63/93/1067736393.db2.gz LINNQYLUEXSQID-FQEVSTJZSA-N 2 1 489.734 3.445 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001304671187 1067740322 /nfs/dbraw/zinc/74/03/22/1067740322.db2.gz UVWPUQYWMVCFGR-XXBNENTESA-N 2 1 489.734 3.300 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303206998 1067745162 /nfs/dbraw/zinc/74/51/62/1067745162.db2.gz XTMLAOFMNJCILY-OAQYLSRUSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001303206998 1067745169 /nfs/dbraw/zinc/74/51/69/1067745169.db2.gz XTMLAOFMNJCILY-OAQYLSRUSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001303206998 1067745178 /nfs/dbraw/zinc/74/51/78/1067745178.db2.gz XTMLAOFMNJCILY-OAQYLSRUSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)C[N@@H+]1CCO[C@H](Cn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208731 1067747007 /nfs/dbraw/zinc/74/70/07/1067747007.db2.gz YDHIRANHAHEFLI-DEOSSOPVSA-N 2 1 484.689 3.133 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208731 1067747015 /nfs/dbraw/zinc/74/70/15/1067747015.db2.gz YDHIRANHAHEFLI-DEOSSOPVSA-N 2 1 484.689 3.133 20 0 JGADMP Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1F ZINC001304702275 1067773733 /nfs/dbraw/zinc/77/37/33/1067773733.db2.gz SXTRKQJYWCAWBQ-UHFFFAOYSA-N 2 1 496.635 3.408 20 0 JGADMP Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1F ZINC001304702275 1067773742 /nfs/dbraw/zinc/77/37/42/1067773742.db2.gz SXTRKQJYWCAWBQ-UHFFFAOYSA-N 2 1 496.635 3.408 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001303255164 1067780819 /nfs/dbraw/zinc/78/08/19/1067780819.db2.gz XQMXNPJOSFZODH-UHFFFAOYSA-N 2 1 482.677 3.356 20 0 JGADMP Cc1[nH+]ccn1CCn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304710593 1067781417 /nfs/dbraw/zinc/78/14/17/1067781417.db2.gz LBLVZNDBSOJDLJ-UHFFFAOYSA-N 2 1 469.556 3.232 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001303261625 1067787880 /nfs/dbraw/zinc/78/78/80/1067787880.db2.gz PPFKDYSPNSYPMP-SJLPKXTDSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001303261625 1067787892 /nfs/dbraw/zinc/78/78/92/1067787892.db2.gz PPFKDYSPNSYPMP-SJLPKXTDSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001303261625 1067787906 /nfs/dbraw/zinc/78/79/06/1067787906.db2.gz PPFKDYSPNSYPMP-SJLPKXTDSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001303261626 1067788164 /nfs/dbraw/zinc/78/81/64/1067788164.db2.gz PPFKDYSPNSYPMP-WMZOPIPTSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303261626 1067788169 /nfs/dbraw/zinc/78/81/69/1067788169.db2.gz PPFKDYSPNSYPMP-WMZOPIPTSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303261626 1067788173 /nfs/dbraw/zinc/78/81/73/1067788173.db2.gz PPFKDYSPNSYPMP-WMZOPIPTSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303262561 1067789758 /nfs/dbraw/zinc/78/97/58/1067789758.db2.gz GVYDPGFYGHKIQR-HXUWFJFHSA-N 2 1 462.042 3.025 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303262560 1067789821 /nfs/dbraw/zinc/78/98/21/1067789821.db2.gz GVYDPGFYGHKIQR-FQEVSTJZSA-N 2 1 462.042 3.025 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001303264564 1067792081 /nfs/dbraw/zinc/79/20/81/1067792081.db2.gz KXGOJWZFJWGDBF-UHFFFAOYSA-N 2 1 473.666 3.294 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001303265463 1067792764 /nfs/dbraw/zinc/79/27/64/1067792764.db2.gz JZHVMNWYGKQZNN-UHFFFAOYSA-N 2 1 482.652 3.184 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001303265463 1067792771 /nfs/dbraw/zinc/79/27/71/1067792771.db2.gz JZHVMNWYGKQZNN-UHFFFAOYSA-N 2 1 482.652 3.184 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001303265463 1067792776 /nfs/dbraw/zinc/79/27/76/1067792776.db2.gz JZHVMNWYGKQZNN-UHFFFAOYSA-N 2 1 482.652 3.184 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001303266213 1067793266 /nfs/dbraw/zinc/79/32/66/1067793266.db2.gz NXEJSPCKAOXHBT-XMMPIXPASA-N 2 1 454.663 3.267 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001303267951 1067795309 /nfs/dbraw/zinc/79/53/09/1067795309.db2.gz LGSCXLXIXSEYIZ-UHFFFAOYSA-N 2 1 487.718 3.455 20 0 JGADMP CC(C)[NH+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001303267951 1067795318 /nfs/dbraw/zinc/79/53/18/1067795318.db2.gz LGSCXLXIXSEYIZ-UHFFFAOYSA-N 2 1 487.718 3.455 20 0 JGADMP CC(C)[NH+](C)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001303267951 1067795328 /nfs/dbraw/zinc/79/53/28/1067795328.db2.gz LGSCXLXIXSEYIZ-UHFFFAOYSA-N 2 1 487.718 3.455 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725315 1067797544 /nfs/dbraw/zinc/79/75/44/1067797544.db2.gz JCQSTYORJGYDLN-HXUWFJFHSA-N 2 1 456.683 3.196 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303270014 1067798694 /nfs/dbraw/zinc/79/86/94/1067798694.db2.gz DZHWXKJYVHLUAN-UHFFFAOYSA-N 2 1 492.615 3.435 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001303276472 1067803923 /nfs/dbraw/zinc/80/39/23/1067803923.db2.gz HBVURADNVRVPDJ-UHFFFAOYSA-N 2 1 481.733 3.398 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001303278659 1067807757 /nfs/dbraw/zinc/80/77/57/1067807757.db2.gz MOVBFXZIQUNYKV-DHIUTWEWSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001303291646 1067816402 /nfs/dbraw/zinc/81/64/02/1067816402.db2.gz SQVNWRMNQWOFDM-FQEVSTJZSA-N 2 1 462.042 3.023 20 0 JGADMP CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001303291646 1067816418 /nfs/dbraw/zinc/81/64/18/1067816418.db2.gz SQVNWRMNQWOFDM-FQEVSTJZSA-N 2 1 462.042 3.023 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC001303307642 1067835886 /nfs/dbraw/zinc/83/58/86/1067835886.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001303307642 1067835902 /nfs/dbraw/zinc/83/59/02/1067835902.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001303307642 1067835919 /nfs/dbraw/zinc/83/59/19/1067835919.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCN(C)C(C)(C)C2)CC1 ZINC001303307642 1067835931 /nfs/dbraw/zinc/83/59/31/1067835931.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCN(C)C(C)(C)C2)CC1 ZINC001303307642 1067835946 /nfs/dbraw/zinc/83/59/46/1067835946.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001303307642 1067835963 /nfs/dbraw/zinc/83/59/63/1067835963.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001303307642 1067835981 /nfs/dbraw/zinc/83/59/81/1067835981.db2.gz GCQANJLUDPWLJM-UHFFFAOYSA-N 2 1 457.642 3.031 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303310766 1067839587 /nfs/dbraw/zinc/83/95/87/1067839587.db2.gz LHZUUFGSXWNVKX-UHFFFAOYSA-N 2 1 474.625 3.029 20 0 JGADMP CC(C)[NH+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC001303311338 1067840450 /nfs/dbraw/zinc/84/04/50/1067840450.db2.gz ZPLANBHIIKNFPT-UHFFFAOYSA-N 2 1 494.688 3.231 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC[NH+]1CCCCCC1 ZINC001303326352 1067855364 /nfs/dbraw/zinc/85/53/64/1067855364.db2.gz AGDOUULJDVYEDW-HSZRJFAPSA-N 2 1 467.662 3.003 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001303402508 1067930779 /nfs/dbraw/zinc/93/07/79/1067930779.db2.gz LVINCLZMGQQXCH-FQEVSTJZSA-N 2 1 471.650 3.157 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001303402727 1067931146 /nfs/dbraw/zinc/93/11/46/1067931146.db2.gz MLHYZHZQTLGKRG-TZIWHRDSSA-N 2 1 487.718 3.481 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001303402720 1067931222 /nfs/dbraw/zinc/93/12/22/1067931222.db2.gz MLHYZHZQTLGKRG-CTNGQTDRSA-N 2 1 487.718 3.481 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001304923669 1067965461 /nfs/dbraw/zinc/96/54/61/1067965461.db2.gz FGTLREBZHXNQTM-NHCUHLMSSA-N 2 1 454.667 3.414 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001304924609 1067967396 /nfs/dbraw/zinc/96/73/96/1067967396.db2.gz IRXZMVULZWPSIP-FGZHOGPDSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304926863 1067971743 /nfs/dbraw/zinc/97/17/43/1067971743.db2.gz UIVVOHIJNQBRLK-SFTDATJTSA-N 2 1 487.718 3.168 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304928067 1067975255 /nfs/dbraw/zinc/97/52/55/1067975255.db2.gz LWHQLFMSYASCAG-ZRZAMGCNSA-N 2 1 483.705 3.179 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304928067 1067975259 /nfs/dbraw/zinc/97/52/59/1067975259.db2.gz LWHQLFMSYASCAG-ZRZAMGCNSA-N 2 1 483.705 3.179 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304928067 1067975266 /nfs/dbraw/zinc/97/52/66/1067975266.db2.gz LWHQLFMSYASCAG-ZRZAMGCNSA-N 2 1 483.705 3.179 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304928067 1067975273 /nfs/dbraw/zinc/97/52/73/1067975273.db2.gz LWHQLFMSYASCAG-ZRZAMGCNSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303467778 1067986561 /nfs/dbraw/zinc/98/65/61/1067986561.db2.gz IJKKVZLAYZIMSF-HSZRJFAPSA-N 2 1 479.094 3.257 20 0 JGADMP 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 1068023481 /nfs/dbraw/zinc/02/34/81/1068023481.db2.gz GXLWKQIFLVIOKK-QFQXNSOFSA-N 2 1 475.726 3.483 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCCC2)CCOC1 ZINC001303501931 1068030843 /nfs/dbraw/zinc/03/08/43/1068030843.db2.gz QJAWSHZFBCQJAB-RUZDIDTESA-N 2 1 462.683 3.115 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504030 1068036122 /nfs/dbraw/zinc/03/61/22/1068036122.db2.gz UCIRKNBCVAUQJX-KCWPFWIISA-N 2 1 484.689 3.370 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCOC1 ZINC001303504033 1068036202 /nfs/dbraw/zinc/03/62/02/1068036202.db2.gz UCIRKNBCVAUQJX-WNCULLNHSA-N 2 1 484.689 3.370 20 0 JGADMP C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015475 1068057928 /nfs/dbraw/zinc/05/79/28/1068057928.db2.gz JQMPQBXCQOOZDA-LEWJYISDSA-N 2 1 459.683 3.052 20 0 JGADMP C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305018565 1068063677 /nfs/dbraw/zinc/06/36/77/1068063677.db2.gz TWKZVBIWWUIUIA-QFIPXVFZSA-N 2 1 471.694 3.343 20 0 JGADMP C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305018565 1068063693 /nfs/dbraw/zinc/06/36/93/1068063693.db2.gz TWKZVBIWWUIUIA-QFIPXVFZSA-N 2 1 471.694 3.343 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305028411 1068085264 /nfs/dbraw/zinc/08/52/64/1068085264.db2.gz FZIXOEGPCCONOH-WOJBJXKFSA-N 2 1 487.718 3.357 20 0 JGADMP C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305028722 1068086852 /nfs/dbraw/zinc/08/68/52/1068086852.db2.gz JDZUWKXCWPVEQS-FCHUYYIVSA-N 2 1 473.710 3.079 20 0 JGADMP C[C@@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001305061012 1068126378 /nfs/dbraw/zinc/12/63/78/1068126378.db2.gz XLMRGPGZOFAHHV-GGAORHGYSA-N 2 1 454.663 3.207 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063641 1068133239 /nfs/dbraw/zinc/13/32/39/1068133239.db2.gz ILNIRAOHGDVEMD-HSZRJFAPSA-N 2 1 481.689 3.249 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001305104301 1068172045 /nfs/dbraw/zinc/17/20/45/1068172045.db2.gz UUBXAKKXAKIBGP-UHFFFAOYSA-N 2 1 473.710 3.193 20 0 JGADMP CC1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001305107824 1068176842 /nfs/dbraw/zinc/17/68/42/1068176842.db2.gz RQUCCGVTUHQTTK-UHFFFAOYSA-N 2 1 476.069 3.272 20 0 JGADMP CC1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001305107824 1068176844 /nfs/dbraw/zinc/17/68/44/1068176844.db2.gz RQUCCGVTUHQTTK-UHFFFAOYSA-N 2 1 476.069 3.272 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001305127274 1068213509 /nfs/dbraw/zinc/21/35/09/1068213509.db2.gz KWTVBIPDPHPOLT-JTHBVZDNSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001305127274 1068213514 /nfs/dbraw/zinc/21/35/14/1068213514.db2.gz KWTVBIPDPHPOLT-JTHBVZDNSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001305127270 1068213610 /nfs/dbraw/zinc/21/36/10/1068213610.db2.gz KWTVBIPDPHPOLT-GGAORHGYSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001305127270 1068213619 /nfs/dbraw/zinc/21/36/19/1068213619.db2.gz KWTVBIPDPHPOLT-GGAORHGYSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303691381 1068231754 /nfs/dbraw/zinc/23/17/54/1068231754.db2.gz DKHCOKWDCGTWKE-HNNXBMFYSA-N 2 1 464.456 3.439 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001305146704 1068248083 /nfs/dbraw/zinc/24/80/83/1068248083.db2.gz PMVDYHCFFLXVPT-FPOVZHCZSA-N 2 1 476.069 3.269 20 0 JGADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC001303705947 1068250000 /nfs/dbraw/zinc/25/00/00/1068250000.db2.gz PUPQMGFBIBDNLH-MZKRTTBSSA-N 2 1 450.635 3.118 20 0 JGADMP C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001305151301 1068257389 /nfs/dbraw/zinc/25/73/89/1068257389.db2.gz DWACPIOZKIEONS-LJQANCHMSA-N 2 1 461.054 3.487 20 0 JGADMP C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001305210176 1068339488 /nfs/dbraw/zinc/33/94/88/1068339488.db2.gz PLIUWGKBJYKHNX-IBGZPJMESA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305213264 1068344627 /nfs/dbraw/zinc/34/46/27/1068344627.db2.gz NKQLCCHSEVXCHX-NFBKMPQASA-N 2 1 491.080 3.398 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305213264 1068344636 /nfs/dbraw/zinc/34/46/36/1068344636.db2.gz NKQLCCHSEVXCHX-NFBKMPQASA-N 2 1 491.080 3.398 20 0 JGADMP C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)[NH+](C)C ZINC001303932540 1068591944 /nfs/dbraw/zinc/59/19/44/1068591944.db2.gz VTNSEZIYIOJSQH-SLFFLAALSA-N 2 1 474.625 3.197 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305509523 1068748728 /nfs/dbraw/zinc/74/87/28/1068748728.db2.gz MHABCPMNCZUCCW-JOCHJYFZSA-N 2 1 454.663 3.351 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001305520224 1068771263 /nfs/dbraw/zinc/77/12/63/1068771263.db2.gz UOIIELMSQHTTPS-REWPJTCUSA-N 2 1 454.663 3.327 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305532297 1068789576 /nfs/dbraw/zinc/78/95/76/1068789576.db2.gz ZSIRFAHSYXFEBB-BJKOFHAPSA-N 2 1 489.753 3.287 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305532302 1068789592 /nfs/dbraw/zinc/78/95/92/1068789592.db2.gz ZSIRFAHSYXFEBB-RPWUZVMVSA-N 2 1 489.753 3.287 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305532299 1068789662 /nfs/dbraw/zinc/78/96/62/1068789662.db2.gz ZSIRFAHSYXFEBB-DNQXCXABSA-N 2 1 489.753 3.287 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305538441 1068803134 /nfs/dbraw/zinc/80/31/34/1068803134.db2.gz WRQYWTKCRLHFDM-LEWJYISDSA-N 2 1 476.710 3.371 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001305540805 1068810202 /nfs/dbraw/zinc/81/02/02/1068810202.db2.gz LMXAPVCBSNWGLM-WMTXJRDZSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001305540805 1068810211 /nfs/dbraw/zinc/81/02/11/1068810211.db2.gz LMXAPVCBSNWGLM-WMTXJRDZSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+]1CCCO ZINC001305540805 1068810226 /nfs/dbraw/zinc/81/02/26/1068810226.db2.gz LMXAPVCBSNWGLM-WMTXJRDZSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544257 1068820093 /nfs/dbraw/zinc/82/00/93/1068820093.db2.gz GMQUANTYWLMGES-FCHUYYIVSA-N 2 1 476.710 3.372 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305544832 1068821657 /nfs/dbraw/zinc/82/16/57/1068821657.db2.gz RTGYTMLYKLVWBH-JWQCQUIFSA-N 2 1 489.753 3.145 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001305545743 1068824205 /nfs/dbraw/zinc/82/42/05/1068824205.db2.gz YKGYDAQCOZCSHU-NRFANRHFSA-N 2 1 473.735 3.244 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001305604165 1068869454 /nfs/dbraw/zinc/86/94/54/1068869454.db2.gz MKNAHEKXBUDHLM-IPJJNNNSSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001305604165 1068869467 /nfs/dbraw/zinc/86/94/67/1068869467.db2.gz MKNAHEKXBUDHLM-IPJJNNNSSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001305604165 1068869475 /nfs/dbraw/zinc/86/94/75/1068869475.db2.gz MKNAHEKXBUDHLM-IPJJNNNSSA-N 2 1 488.080 3.265 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001305607844 1068877283 /nfs/dbraw/zinc/87/72/83/1068877283.db2.gz ZLWWDPSAGAZHBJ-FQEVSTJZSA-N 2 1 468.650 3.110 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001305615349 1068892703 /nfs/dbraw/zinc/89/27/03/1068892703.db2.gz PSKPPXUWPIXJAV-FDFHNCONSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001305615349 1068892709 /nfs/dbraw/zinc/89/27/09/1068892709.db2.gz PSKPPXUWPIXJAV-FDFHNCONSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001305615349 1068892720 /nfs/dbraw/zinc/89/27/20/1068892720.db2.gz PSKPPXUWPIXJAV-FDFHNCONSA-N 2 1 483.709 3.101 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305617437 1068897836 /nfs/dbraw/zinc/89/78/36/1068897836.db2.gz HNOGDVOHMKVCGO-IFMALSPDSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305617437 1068897847 /nfs/dbraw/zinc/89/78/47/1068897847.db2.gz HNOGDVOHMKVCGO-IFMALSPDSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001305670577 1069016996 /nfs/dbraw/zinc/01/69/96/1069016996.db2.gz LHMQMNJWAHGJKL-BKMJKUGQSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670577 1069017013 /nfs/dbraw/zinc/01/70/13/1069017013.db2.gz LHMQMNJWAHGJKL-BKMJKUGQSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670577 1069017031 /nfs/dbraw/zinc/01/70/31/1069017031.db2.gz LHMQMNJWAHGJKL-BKMJKUGQSA-N 2 1 454.663 3.197 20 0 JGADMP 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 1069117721 /nfs/dbraw/zinc/11/77/21/1069117721.db2.gz JFNWUDLJAPSTKF-PETUGJSASA-N 2 1 476.710 3.358 20 0 JGADMP 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 1069159066 /nfs/dbraw/zinc/15/90/66/1069159066.db2.gz AXXFISWTOBPCJF-FKBYEOEOSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001305736663 1069159071 /nfs/dbraw/zinc/15/90/71/1069159071.db2.gz AXXFISWTOBPCJF-FKBYEOEOSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001305736663 1069159076 /nfs/dbraw/zinc/15/90/76/1069159076.db2.gz AXXFISWTOBPCJF-FKBYEOEOSA-N 2 1 475.726 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001305776668 1069261015 /nfs/dbraw/zinc/26/10/15/1069261015.db2.gz PVYQFNFCJFSMLU-UHFFFAOYSA-N 2 1 461.699 3.239 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305778282 1069265838 /nfs/dbraw/zinc/26/58/38/1069265838.db2.gz AOZVDCYRXYBBMY-FQEVSTJZSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC[NH+]1CCCC1 ZINC001305787642 1069294236 /nfs/dbraw/zinc/29/42/36/1069294236.db2.gz NPQNVCCIKDRNAS-NRFANRHFSA-N 2 1 467.662 3.003 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001305787940 1069295661 /nfs/dbraw/zinc/29/56/61/1069295661.db2.gz QJXTZEJWZFPLIW-QPPBQGQZSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CC ZINC001305787940 1069295666 /nfs/dbraw/zinc/29/56/66/1069295666.db2.gz QJXTZEJWZFPLIW-QPPBQGQZSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CC ZINC001305787940 1069295671 /nfs/dbraw/zinc/29/56/71/1069295671.db2.gz QJXTZEJWZFPLIW-QPPBQGQZSA-N 2 1 481.689 3.392 20 0 JGADMP O=C1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)CC2(CC[NH2+]CC2)N1 ZINC001164393792 718809601 /nfs/dbraw/zinc/80/96/01/718809601.db2.gz WRXWEUSITFYROO-UHFFFAOYSA-N 2 1 482.679 3.464 20 0 JGADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620365 719008034 /nfs/dbraw/zinc/00/80/34/719008034.db2.gz YNRBQYPTXDHVFR-UFHPHHKVSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620365 719008036 /nfs/dbraw/zinc/00/80/36/719008036.db2.gz YNRBQYPTXDHVFR-UFHPHHKVSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164614701 719017239 /nfs/dbraw/zinc/01/72/39/719017239.db2.gz GEPCALUDYNWOOF-OGWHTMIXSA-N 2 1 469.655 3.142 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617093 719017375 /nfs/dbraw/zinc/01/73/75/719017375.db2.gz MBPQRPJTZRENMY-NEWSRXKRSA-N 2 1 469.655 3.286 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164683151 719612662 /nfs/dbraw/zinc/61/26/62/719612662.db2.gz HNLDVPMSSCDTNU-UHFFFAOYSA-N 2 1 452.006 3.317 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2c1CC[NH2+]C2 ZINC001164683151 719612670 /nfs/dbraw/zinc/61/26/70/719612670.db2.gz HNLDVPMSSCDTNU-UHFFFAOYSA-N 2 1 452.006 3.317 20 0 JGADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687762 719687503 /nfs/dbraw/zinc/68/75/03/719687503.db2.gz VDOOSAUNFACRGA-XMMPIXPASA-N 2 1 479.673 3.490 20 0 JGADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164833004 720322927 /nfs/dbraw/zinc/32/29/27/720322927.db2.gz VJOFXZVGUULTRT-ZEQRLZLVSA-N 2 1 458.610 3.391 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737854 720762463 /nfs/dbraw/zinc/76/24/63/720762463.db2.gz DCRYEZOVVLGDNB-MOPGFXCFSA-N 2 1 465.627 3.036 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737854 720762475 /nfs/dbraw/zinc/76/24/75/720762475.db2.gz DCRYEZOVVLGDNB-MOPGFXCFSA-N 2 1 465.627 3.036 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740951 720764421 /nfs/dbraw/zinc/76/44/21/720764421.db2.gz LNOZFBQQOOKLCV-OALUTQOASA-N 2 1 467.643 3.282 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740951 720764425 /nfs/dbraw/zinc/76/44/25/720764425.db2.gz LNOZFBQQOOKLCV-OALUTQOASA-N 2 1 467.643 3.282 20 0 JGADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)cn1 ZINC001164741853 720765063 /nfs/dbraw/zinc/76/50/63/720765063.db2.gz NDETZTPBLYZWCB-RTBURBONSA-N 2 1 491.665 3.298 20 0 JGADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741853 720765069 /nfs/dbraw/zinc/76/50/69/720765069.db2.gz NDETZTPBLYZWCB-RTBURBONSA-N 2 1 491.665 3.298 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739995 720833725 /nfs/dbraw/zinc/83/37/25/720833725.db2.gz BKUVDGBRTSXGJC-BHIFYINESA-N 2 1 456.038 3.302 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739995 720833727 /nfs/dbraw/zinc/83/37/27/720833727.db2.gz BKUVDGBRTSXGJC-BHIFYINESA-N 2 1 456.038 3.302 20 0 JGADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164853366 720876026 /nfs/dbraw/zinc/87/60/26/720876026.db2.gz CCHFHNVCCCAWNM-CTNGQTDRSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164853366 720876027 /nfs/dbraw/zinc/87/60/27/720876027.db2.gz CCHFHNVCCCAWNM-CTNGQTDRSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164855534 720876368 /nfs/dbraw/zinc/87/63/68/720876368.db2.gz HDDLIGMDMCTABJ-TZIWHRDSSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164855534 720876370 /nfs/dbraw/zinc/87/63/70/720876370.db2.gz HDDLIGMDMCTABJ-TZIWHRDSSA-N 2 1 485.698 3.339 20 0 JGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751783 720899265 /nfs/dbraw/zinc/89/92/65/720899265.db2.gz DOZKLDYMQJQATC-SQHAQQRYSA-N 2 1 462.642 3.094 20 0 JGADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885521 721453173 /nfs/dbraw/zinc/45/31/73/721453173.db2.gz FBPXRUJSAHAWQQ-XUZZJYLKSA-N 2 1 496.046 3.422 20 0 JGADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)C3)O2)CC1 ZINC001164885520 721453526 /nfs/dbraw/zinc/45/35/26/721453526.db2.gz FBPXRUJSAHAWQQ-URXFXBBRSA-N 2 1 496.046 3.422 20 0 JGADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164962941 722054556 /nfs/dbraw/zinc/05/45/56/722054556.db2.gz GAJFUHWCSLBSAX-UHFFFAOYSA-N 2 1 457.022 3.111 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001298236593 1064142220 /nfs/dbraw/zinc/14/22/20/1064142220.db2.gz XWMKFYBQFCMQFY-OAQYLSRUSA-N 2 1 485.702 3.443 20 0 JGADMP C[N@@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC001298674433 1064459979 /nfs/dbraw/zinc/45/99/79/1064459979.db2.gz NDWOPAAUVRXKNB-DEOSSOPVSA-N 2 1 495.716 3.132 20 0 JGADMP C[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC001298674433 1064459981 /nfs/dbraw/zinc/45/99/81/1064459981.db2.gz NDWOPAAUVRXKNB-DEOSSOPVSA-N 2 1 495.716 3.132 20 0 JGADMP C[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC001298674433 1064459990 /nfs/dbraw/zinc/45/99/90/1064459990.db2.gz NDWOPAAUVRXKNB-DEOSSOPVSA-N 2 1 495.716 3.132 20 0 JGADMP C[N@@H+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC001298674436 1064460038 /nfs/dbraw/zinc/46/00/38/1064460038.db2.gz NDWOPAAUVRXKNB-XMMPIXPASA-N 2 1 495.716 3.132 20 0 JGADMP C[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC001298674436 1064460044 /nfs/dbraw/zinc/46/00/44/1064460044.db2.gz NDWOPAAUVRXKNB-XMMPIXPASA-N 2 1 495.716 3.132 20 0 JGADMP C[NH+](CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC001298674436 1064460052 /nfs/dbraw/zinc/46/00/52/1064460052.db2.gz NDWOPAAUVRXKNB-XMMPIXPASA-N 2 1 495.716 3.132 20 0 JGADMP C[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001298697382 1064499106 /nfs/dbraw/zinc/49/91/06/1064499106.db2.gz FIBOTRWYYZTHOR-UHFFFAOYSA-N 2 1 490.656 3.368 20 0 JGADMP C[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001298697382 1064499116 /nfs/dbraw/zinc/49/91/16/1064499116.db2.gz FIBOTRWYYZTHOR-UHFFFAOYSA-N 2 1 490.656 3.368 20 0 JGADMP C[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001298697382 1064499120 /nfs/dbraw/zinc/49/91/20/1064499120.db2.gz FIBOTRWYYZTHOR-UHFFFAOYSA-N 2 1 490.656 3.368 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728883 1064543019 /nfs/dbraw/zinc/54/30/19/1064543019.db2.gz CAXFDNOACRDOTH-DEOSSOPVSA-N 2 1 495.647 3.253 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2cccnc2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728883 1064543027 /nfs/dbraw/zinc/54/30/27/1064543027.db2.gz CAXFDNOACRDOTH-DEOSSOPVSA-N 2 1 495.647 3.253 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001298729124 1064543413 /nfs/dbraw/zinc/54/34/13/1064543413.db2.gz GBJCFVYRZJJMDE-UHFFFAOYSA-N 2 1 458.626 3.041 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCCC1 ZINC001298729124 1064543425 /nfs/dbraw/zinc/54/34/25/1064543425.db2.gz GBJCFVYRZJJMDE-UHFFFAOYSA-N 2 1 458.626 3.041 20 0 JGADMP C[N@H+]1CC[C@@](O)(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001298881944 1064688757 /nfs/dbraw/zinc/68/87/57/1064688757.db2.gz NEJCUJWIWPYQEP-QHCPKHFHSA-N 2 1 479.094 3.211 20 0 JGADMP C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001298885138 1064691171 /nfs/dbraw/zinc/69/11/71/1064691171.db2.gz GYYPHZHXOHTDFU-OAQYLSRUSA-N 2 1 473.710 3.193 20 0 JGADMP C[N@H+]1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001298895758 1064702867 /nfs/dbraw/zinc/70/28/67/1064702867.db2.gz DUPIFBUSUMZTPQ-UHFFFAOYSA-N 2 1 489.659 3.094 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001299907601 1065149950 /nfs/dbraw/zinc/14/99/50/1065149950.db2.gz IQRBIWOUIKOBSN-HXUWFJFHSA-N 2 1 491.080 3.496 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001299908385 1065151976 /nfs/dbraw/zinc/15/19/76/1065151976.db2.gz TVXNEVHEBSALCJ-SFHVURJKSA-N 2 1 477.053 3.248 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001299908385 1065151983 /nfs/dbraw/zinc/15/19/83/1065151983.db2.gz TVXNEVHEBSALCJ-SFHVURJKSA-N 2 1 477.053 3.248 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352893 1065414618 /nfs/dbraw/zinc/41/46/18/1065414618.db2.gz RGXPHBNJALRTDD-KCWPFWIISA-N 2 1 484.689 3.443 20 0 JGADMP COCCO[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001302030861 1066396149 /nfs/dbraw/zinc/39/61/49/1066396149.db2.gz YUYNKPJHCXERLW-FPOVZHCZSA-N 2 1 450.672 3.089 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302057307 1066454238 /nfs/dbraw/zinc/45/42/38/1066454238.db2.gz YAJXNDODZLLBNB-DNVJHFABSA-N 2 1 462.683 3.187 20 0 JGADMP COCCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301613721 1066463225 /nfs/dbraw/zinc/46/32/25/1066463225.db2.gz PTHNQVVEVCYHLO-UHFFFAOYSA-N 2 1 460.642 3.287 20 0 JGADMP COCCC[NH+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301613721 1066463234 /nfs/dbraw/zinc/46/32/34/1066463234.db2.gz PTHNQVVEVCYHLO-UHFFFAOYSA-N 2 1 460.642 3.287 20 0 JGADMP COCCC[NH+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301613721 1066463241 /nfs/dbraw/zinc/46/32/41/1066463241.db2.gz PTHNQVVEVCYHLO-UHFFFAOYSA-N 2 1 460.642 3.287 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302091647 1066519507 /nfs/dbraw/zinc/51/95/07/1066519507.db2.gz FWSIJLAIHWBZKG-BHIFYINESA-N 2 1 462.683 3.187 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301706969 1066596746 /nfs/dbraw/zinc/59/67/46/1066596746.db2.gz AAUVPHPPWYSVPM-RDGATRHJSA-N 2 1 473.710 3.012 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301727287 1066644310 /nfs/dbraw/zinc/64/43/10/1066644310.db2.gz AOXAZIBLFAORHJ-UHFFFAOYSA-N 2 1 451.619 3.038 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301727548 1066645103 /nfs/dbraw/zinc/64/51/03/1066645103.db2.gz FRTDNQDNMANRBN-UHFFFAOYSA-N 2 1 465.646 3.382 20 0 JGADMP COCC[NH+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301727548 1066645106 /nfs/dbraw/zinc/64/51/06/1066645106.db2.gz FRTDNQDNMANRBN-UHFFFAOYSA-N 2 1 465.646 3.382 20 0 JGADMP COCC[NH+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301727548 1066645112 /nfs/dbraw/zinc/64/51/12/1066645112.db2.gz FRTDNQDNMANRBN-UHFFFAOYSA-N 2 1 465.646 3.382 20 0 JGADMP COCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301734818 1066656012 /nfs/dbraw/zinc/65/60/12/1066656012.db2.gz ROGJIDLFQUSMJO-UHFFFAOYSA-N 2 1 490.643 3.426 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302191031 1066673334 /nfs/dbraw/zinc/67/33/34/1066673334.db2.gz NSLVBAJTUJZPOF-UHFFFAOYSA-N 2 1 455.651 3.009 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302191031 1066673340 /nfs/dbraw/zinc/67/33/40/1066673340.db2.gz NSLVBAJTUJZPOF-UHFFFAOYSA-N 2 1 455.651 3.009 20 0 JGADMP CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001302194054 1066680201 /nfs/dbraw/zinc/68/02/01/1066680201.db2.gz VOVOXKFYMIJFBW-UHFFFAOYSA-N 2 1 488.652 3.277 20 0 JGADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001301767834 1066710367 /nfs/dbraw/zinc/71/03/67/1066710367.db2.gz RNOISHARCQQEOA-DHLKQENFSA-N 2 1 487.737 3.118 20 0 JGADMP C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001302226730 1066739866 /nfs/dbraw/zinc/73/98/66/1066739866.db2.gz LAIGQRMROYOTDY-QFIPXVFZSA-N 2 1 458.647 3.346 20 0 JGADMP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874094 1066874144 /nfs/dbraw/zinc/87/41/44/1066874144.db2.gz DPZDQBSERWJZPF-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874094 1066874147 /nfs/dbraw/zinc/87/41/47/1066874147.db2.gz DPZDQBSERWJZPF-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874094 1066874156 /nfs/dbraw/zinc/87/41/56/1066874156.db2.gz DPZDQBSERWJZPF-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001301877186 1066878669 /nfs/dbraw/zinc/87/86/69/1066878669.db2.gz JZGAAVBOSZQXIM-URVUXULASA-N 2 1 458.651 3.142 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001301877184 1066878747 /nfs/dbraw/zinc/87/87/47/1066878747.db2.gz JZGAAVBOSZQXIM-ONTIZHBOSA-N 2 1 458.651 3.142 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301877254 1066879509 /nfs/dbraw/zinc/87/95/09/1066879509.db2.gz LENUNPDFJKVCFG-QHCPKHFHSA-N 2 1 468.646 3.065 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301877254 1066879514 /nfs/dbraw/zinc/87/95/14/1066879514.db2.gz LENUNPDFJKVCFG-QHCPKHFHSA-N 2 1 468.646 3.065 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001302303182 1066889854 /nfs/dbraw/zinc/88/98/54/1066889854.db2.gz ASLDRVJOMYFDGN-VXKWHMMOSA-N 2 1 450.672 3.041 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCCn1cc[nH+]c1C ZINC001302303595 1066890480 /nfs/dbraw/zinc/89/04/80/1066890480.db2.gz JJPTUAXSACHCLQ-VXKWHMMOSA-N 2 1 473.666 3.298 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCn1cc[nH+]c1C ZINC001302303595 1066890491 /nfs/dbraw/zinc/89/04/91/1066890491.db2.gz JJPTUAXSACHCLQ-VXKWHMMOSA-N 2 1 473.666 3.298 20 0 JGADMP 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 1066891975 /nfs/dbraw/zinc/89/19/75/1066891975.db2.gz ZGUYWNLKYSTPOO-KIHHCIJBSA-N 2 1 476.710 3.291 20 0 JGADMP 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 ZINC001302304678 1066891981 /nfs/dbraw/zinc/89/19/81/1066891981.db2.gz ZGUYWNLKYSTPOO-KIHHCIJBSA-N 2 1 476.710 3.291 20 0 JGADMP 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 ZINC001302304678 1066891989 /nfs/dbraw/zinc/89/19/89/1066891989.db2.gz ZGUYWNLKYSTPOO-KIHHCIJBSA-N 2 1 476.710 3.291 20 0 JGADMP 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 1066894341 /nfs/dbraw/zinc/89/43/41/1066894341.db2.gz OPXRIXIDIAEZLZ-FSSWDIPSSA-N 2 1 462.683 3.043 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301886453 1066897947 /nfs/dbraw/zinc/89/79/47/1066897947.db2.gz XJVCDADLDQQXTK-VXKWHMMOSA-N 2 1 484.689 3.479 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301887283 1066900394 /nfs/dbraw/zinc/90/03/94/1066900394.db2.gz IAWPTAPZAKYYQL-SFHVURJKSA-N 2 1 477.053 3.248 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301888791 1066904987 /nfs/dbraw/zinc/90/49/87/1066904987.db2.gz PITCBGNWZGEOTQ-WOJBJXKFSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001301892974 1066914285 /nfs/dbraw/zinc/91/42/85/1066914285.db2.gz XZOTWXIHWZKCQA-PKTZIBPZSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001301892974 1066914293 /nfs/dbraw/zinc/91/42/93/1066914293.db2.gz XZOTWXIHWZKCQA-PKTZIBPZSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001301892974 1066914299 /nfs/dbraw/zinc/91/42/99/1066914299.db2.gz XZOTWXIHWZKCQA-PKTZIBPZSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001301895861 1066917246 /nfs/dbraw/zinc/91/72/46/1066917246.db2.gz AYDDNNAHRGECJX-UHFFFAOYSA-N 2 1 461.054 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001301895861 1066917258 /nfs/dbraw/zinc/91/72/58/1066917258.db2.gz AYDDNNAHRGECJX-UHFFFAOYSA-N 2 1 461.054 3.489 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301896017 1066917940 /nfs/dbraw/zinc/91/79/40/1066917940.db2.gz CGPYKAKPBVUVOW-VQTJNVASSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001301896018 1066918209 /nfs/dbraw/zinc/91/82/09/1066918209.db2.gz CGPYKAKPBVUVOW-WOJBJXKFSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301898324 1066922170 /nfs/dbraw/zinc/92/21/70/1066922170.db2.gz LBQILEVSHOYVPY-NFBKMPQASA-N 2 1 451.619 3.041 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301909365 1066933150 /nfs/dbraw/zinc/93/31/50/1066933150.db2.gz AHUYDQBKLTZLBQ-AUSIDOKSSA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909365 1066933158 /nfs/dbraw/zinc/93/31/58/1066933158.db2.gz AHUYDQBKLTZLBQ-AUSIDOKSSA-N 2 1 490.643 3.424 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301909365 1066933168 /nfs/dbraw/zinc/93/31/68/1066933168.db2.gz AHUYDQBKLTZLBQ-AUSIDOKSSA-N 2 1 490.643 3.424 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC001301909984 1066934298 /nfs/dbraw/zinc/93/42/98/1066934298.db2.gz AYXIIOZNIPVQBE-ISKFKSNPSA-N 2 1 476.710 3.435 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301910882 1066935654 /nfs/dbraw/zinc/93/56/54/1066935654.db2.gz JSVMGQAOBUVOFD-FNZWTVRRSA-N 2 1 490.643 3.426 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001301912585 1066939561 /nfs/dbraw/zinc/93/95/61/1066939561.db2.gz KTXNMJGUUZTWKY-WWNPGLIZSA-N 2 1 462.683 3.187 20 0 JGADMP 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 1066943375 /nfs/dbraw/zinc/94/33/75/1066943375.db2.gz NSSGMOBLIZUPSR-BJESRGMDSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001301913943 1066943386 /nfs/dbraw/zinc/94/33/86/1066943386.db2.gz NSSGMOBLIZUPSR-BJESRGMDSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001301913943 1066943397 /nfs/dbraw/zinc/94/33/97/1066943397.db2.gz NSSGMOBLIZUPSR-BJESRGMDSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001301918297 1066948108 /nfs/dbraw/zinc/94/81/08/1066948108.db2.gz HBDBXWKMPYGEJY-RCZVLFRGSA-N 2 1 477.657 3.032 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301918356 1066948638 /nfs/dbraw/zinc/94/86/38/1066948638.db2.gz IQYFGSZJUGNFKU-BGYRXZFFSA-N 2 1 489.734 3.159 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301918356 1066948649 /nfs/dbraw/zinc/94/86/49/1066948649.db2.gz IQYFGSZJUGNFKU-BGYRXZFFSA-N 2 1 489.734 3.159 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920003 1066953025 /nfs/dbraw/zinc/95/30/25/1066953025.db2.gz LTVJSUMOAHQHAT-NZQKXSOJSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920003 1066953030 /nfs/dbraw/zinc/95/30/30/1066953030.db2.gz LTVJSUMOAHQHAT-NZQKXSOJSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301920003 1066953037 /nfs/dbraw/zinc/95/30/37/1066953037.db2.gz LTVJSUMOAHQHAT-NZQKXSOJSA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301921179 1066954541 /nfs/dbraw/zinc/95/45/41/1066954541.db2.gz RCJPOKNALSPLAF-AJTFRIOCSA-N 2 1 468.690 3.456 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001301921232 1066954883 /nfs/dbraw/zinc/95/48/83/1066954883.db2.gz RQUXHQAXETUSHZ-NRFANRHFSA-N 2 1 472.634 3.141 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001301921233 1066954908 /nfs/dbraw/zinc/95/49/08/1066954908.db2.gz RQUXHQAXETUSHZ-OAQYLSRUSA-N 2 1 472.634 3.141 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926998 1066960933 /nfs/dbraw/zinc/96/09/33/1066960933.db2.gz RSHFHUFUBQVVCC-LADGPHEKSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926998 1066960941 /nfs/dbraw/zinc/96/09/41/1066960941.db2.gz RSHFHUFUBQVVCC-LADGPHEKSA-N 2 1 484.689 3.177 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301926998 1066960948 /nfs/dbraw/zinc/96/09/48/1066960948.db2.gz RSHFHUFUBQVVCC-LADGPHEKSA-N 2 1 484.689 3.177 20 0 JGADMP CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302518746 1067137896 /nfs/dbraw/zinc/13/78/96/1067137896.db2.gz IABPYOYNSUTUMT-JOCHJYFZSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001302523889 1067145233 /nfs/dbraw/zinc/14/52/33/1067145233.db2.gz LPMLXHCNJCZCFX-PKTZIBPZSA-N 2 1 476.710 3.087 20 0 JGADMP 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 1067182948 /nfs/dbraw/zinc/18/29/48/1067182948.db2.gz VHPHADULWLAJFW-CPJSRVTESA-N 2 1 491.080 3.285 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001304181757 1067230676 /nfs/dbraw/zinc/23/06/76/1067230676.db2.gz FEWCRVUQZHWOBS-UHFFFAOYSA-N 2 1 484.689 3.363 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001304181757 1067230684 /nfs/dbraw/zinc/23/06/84/1067230684.db2.gz FEWCRVUQZHWOBS-UHFFFAOYSA-N 2 1 484.689 3.363 20 0 JGADMP Cc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001304308664 1067356109 /nfs/dbraw/zinc/35/61/09/1067356109.db2.gz QNDQFLMAYSCHCS-UEXGIBASSA-N 2 1 491.478 3.123 20 0 JGADMP Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304325475 1067374381 /nfs/dbraw/zinc/37/43/81/1067374381.db2.gz VIYQFPRZCIYLHR-SZPZYZBQSA-N 2 1 488.677 3.281 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001304403439 1067465811 /nfs/dbraw/zinc/46/58/11/1067465811.db2.gz IWDICZIEWLPVJJ-ZLNRFVROSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001304403439 1067465820 /nfs/dbraw/zinc/46/58/20/1067465820.db2.gz IWDICZIEWLPVJJ-ZLNRFVROSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cc1 ZINC001304403439 1067465823 /nfs/dbraw/zinc/46/58/23/1067465823.db2.gz IWDICZIEWLPVJJ-ZLNRFVROSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cc1 ZINC001304403439 1067465831 /nfs/dbraw/zinc/46/58/31/1067465831.db2.gz IWDICZIEWLPVJJ-ZLNRFVROSA-N 2 1 470.662 3.195 20 0 JGADMP 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 1067473838 /nfs/dbraw/zinc/47/38/38/1067473838.db2.gz UGRJHQHZQLDXEI-BKSPAHHJSA-N 2 1 478.751 3.240 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001302905516 1067490478 /nfs/dbraw/zinc/49/04/78/1067490478.db2.gz RJEJQPLBZRNXQM-IMSXRSKXSA-N 2 1 470.662 3.175 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001302905516 1067490483 /nfs/dbraw/zinc/49/04/83/1067490483.db2.gz RJEJQPLBZRNXQM-IMSXRSKXSA-N 2 1 470.662 3.175 20 0 JGADMP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001302938866 1067512733 /nfs/dbraw/zinc/51/27/33/1067512733.db2.gz UGNKALBRWPVPBR-QHCPKHFHSA-N 2 1 470.710 3.290 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001302938866 1067512740 /nfs/dbraw/zinc/51/27/40/1067512740.db2.gz UGNKALBRWPVPBR-QHCPKHFHSA-N 2 1 470.710 3.290 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001302938866 1067512748 /nfs/dbraw/zinc/51/27/48/1067512748.db2.gz UGNKALBRWPVPBR-QHCPKHFHSA-N 2 1 470.710 3.290 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302957852 1067529286 /nfs/dbraw/zinc/52/92/86/1067529286.db2.gz VPZVXKMVMHJYQA-JOCHJYFZSA-N 2 1 459.727 3.061 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302957852 1067529294 /nfs/dbraw/zinc/52/92/94/1067529294.db2.gz VPZVXKMVMHJYQA-JOCHJYFZSA-N 2 1 459.727 3.061 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302957852 1067529302 /nfs/dbraw/zinc/52/93/02/1067529302.db2.gz VPZVXKMVMHJYQA-JOCHJYFZSA-N 2 1 459.727 3.061 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302964800 1067534951 /nfs/dbraw/zinc/53/49/51/1067534951.db2.gz JLSKXIVTPMUHIS-DHIUTWEWSA-N 2 1 458.626 3.220 20 0 JGADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304525562 1067598704 /nfs/dbraw/zinc/59/87/04/1067598704.db2.gz ITNZKKHGWFVJRV-VWLOTQADSA-N 2 1 472.703 3.238 20 0 JGADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304525562 1067598705 /nfs/dbraw/zinc/59/87/05/1067598705.db2.gz ITNZKKHGWFVJRV-VWLOTQADSA-N 2 1 472.703 3.238 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304561828 1067631961 /nfs/dbraw/zinc/63/19/61/1067631961.db2.gz QBLFIRLIOXSBNE-DEOSSOPVSA-N 2 1 454.663 3.207 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001304561828 1067631962 /nfs/dbraw/zinc/63/19/62/1067631962.db2.gz QBLFIRLIOXSBNE-DEOSSOPVSA-N 2 1 454.663 3.207 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001303182087 1067714444 /nfs/dbraw/zinc/71/44/44/1067714444.db2.gz FFWCXQQAIIJCGH-XMMPIXPASA-N 2 1 454.663 3.471 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001303195458 1067728778 /nfs/dbraw/zinc/72/87/78/1067728778.db2.gz FXQHYWYNMIHUFP-ZRZAMGCNSA-N 2 1 453.679 3.410 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001303195850 1067729002 /nfs/dbraw/zinc/72/90/02/1067729002.db2.gz DKFAQOFRPGTJEX-QHCPKHFHSA-N 2 1 475.081 3.147 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303203985 1067739959 /nfs/dbraw/zinc/73/99/59/1067739959.db2.gz IXYXZOJKJQQEFA-VWLOTQADSA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303203985 1067739966 /nfs/dbraw/zinc/73/99/66/1067739966.db2.gz IXYXZOJKJQQEFA-VWLOTQADSA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303203985 1067739974 /nfs/dbraw/zinc/73/99/74/1067739974.db2.gz IXYXZOJKJQQEFA-VWLOTQADSA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001303204480 1067741279 /nfs/dbraw/zinc/74/12/79/1067741279.db2.gz MSFRJASTUKYIEW-JOCHJYFZSA-N 2 1 460.692 3.254 20 0 JGADMP Cc1[nH+]ccn1CCn1c(-c2ccccc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001304711370 1067782578 /nfs/dbraw/zinc/78/25/78/1067782578.db2.gz DJKCBWVYHMSNFJ-UHFFFAOYSA-N 2 1 477.535 3.241 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001303261582 1067787857 /nfs/dbraw/zinc/78/78/57/1067787857.db2.gz NWBSWGLRWGYFGM-JOCHJYFZSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303261567 1067788121 /nfs/dbraw/zinc/78/81/21/1067788121.db2.gz NJKYFTIHGHWIHP-UHFFFAOYSA-N 2 1 452.445 3.296 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001303261845 1067788965 /nfs/dbraw/zinc/78/89/65/1067788965.db2.gz YUJWOJSRACBWSY-NRFANRHFSA-N 2 1 487.718 3.322 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303266370 1067793220 /nfs/dbraw/zinc/79/32/20/1067793220.db2.gz PPSKONJLKKDQIV-VWLOTQADSA-N 2 1 458.626 3.039 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303266370 1067793222 /nfs/dbraw/zinc/79/32/22/1067793222.db2.gz PPSKONJLKKDQIV-VWLOTQADSA-N 2 1 458.626 3.039 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303268678 1067796937 /nfs/dbraw/zinc/79/69/37/1067796937.db2.gz KTTUDURDKDAWDH-UHFFFAOYSA-N 2 1 474.625 3.028 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001304725524 1067797581 /nfs/dbraw/zinc/79/75/81/1067797581.db2.gz DLXGDSLNLKOMBU-INIZCTEOSA-N 2 1 489.043 3.360 20 0 JGADMP CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303278216 1067806071 /nfs/dbraw/zinc/80/60/71/1067806071.db2.gz ZDIKKDIDPPDKIL-QFIPXVFZSA-N 2 1 461.054 3.164 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303278216 1067806085 /nfs/dbraw/zinc/80/60/85/1067806085.db2.gz ZDIKKDIDPPDKIL-QFIPXVFZSA-N 2 1 461.054 3.164 20 0 JGADMP CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001303291483 1067816119 /nfs/dbraw/zinc/81/61/19/1067816119.db2.gz QKXPKZGCTDIOAD-NRFANRHFSA-N 2 1 457.667 3.472 20 0 JGADMP CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001303298561 1067823441 /nfs/dbraw/zinc/82/34/41/1067823441.db2.gz MDJMGFZJJXASIV-QHCPKHFHSA-N 2 1 467.662 3.060 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303314429 1067842776 /nfs/dbraw/zinc/84/27/76/1067842776.db2.gz ZBMOPEUUPVQICU-FQEVSTJZSA-N 2 1 489.709 3.406 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001304762921 1067850416 /nfs/dbraw/zinc/85/04/16/1067850416.db2.gz HDIVKUHHZBPTIV-NRFANRHFSA-N 2 1 470.710 3.430 20 0 JGADMP Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001304791168 1067882954 /nfs/dbraw/zinc/88/29/54/1067882954.db2.gz XKZFCOHDVUWIQG-UHFFFAOYSA-N 2 1 454.663 3.218 20 0 JGADMP Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001304791168 1067882964 /nfs/dbraw/zinc/88/29/64/1067882964.db2.gz XKZFCOHDVUWIQG-UHFFFAOYSA-N 2 1 454.663 3.218 20 0 JGADMP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001304800811 1067884861 /nfs/dbraw/zinc/88/48/61/1067884861.db2.gz SZALAYNWTYUPDT-QFIPXVFZSA-N 2 1 453.679 3.355 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001303402510 1067930740 /nfs/dbraw/zinc/93/07/40/1067930740.db2.gz LVINCLZMGQQXCH-HXUWFJFHSA-N 2 1 471.650 3.157 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304925152 1067968060 /nfs/dbraw/zinc/96/80/60/1067968060.db2.gz LCHGAZLTOXQZHY-DHIUTWEWSA-N 2 1 487.737 3.439 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304925193 1067968605 /nfs/dbraw/zinc/96/86/05/1067968605.db2.gz LGOLRTJTQMINEK-TZRRMPRUSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001304925193 1067968611 /nfs/dbraw/zinc/96/86/11/1067968611.db2.gz LGOLRTJTQMINEK-TZRRMPRUSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304925193 1067968616 /nfs/dbraw/zinc/96/86/16/1067968616.db2.gz LGOLRTJTQMINEK-TZRRMPRUSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304925193 1067968621 /nfs/dbraw/zinc/96/86/21/1067968621.db2.gz LGOLRTJTQMINEK-TZRRMPRUSA-N 2 1 490.737 3.477 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927228 1067973027 /nfs/dbraw/zinc/97/30/27/1067973027.db2.gz VVHUNTAQEVDPJT-ODAXIHTASA-N 2 1 469.678 3.254 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001304927228 1067973031 /nfs/dbraw/zinc/97/30/31/1067973031.db2.gz VVHUNTAQEVDPJT-ODAXIHTASA-N 2 1 469.678 3.254 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001303467826 1067986976 /nfs/dbraw/zinc/98/69/76/1067986976.db2.gz KHAVFBBEDIFCJL-NRFANRHFSA-N 2 1 487.718 3.357 20 0 JGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014298 1068055558 /nfs/dbraw/zinc/05/55/58/1068055558.db2.gz QMTYQPXOZJVICB-FGZHOGPDSA-N 2 1 455.651 3.009 20 0 JGADMP C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305015479 1068057871 /nfs/dbraw/zinc/05/78/71/1068057871.db2.gz JQMPQBXCQOOZDA-SFTDATJTSA-N 2 1 459.683 3.052 20 0 JGADMP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018206 1068062825 /nfs/dbraw/zinc/06/28/25/1068062825.db2.gz HLFXLDSNFNLKGM-YADHBBJMSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018206 1068062840 /nfs/dbraw/zinc/06/28/40/1068062840.db2.gz HLFXLDSNFNLKGM-YADHBBJMSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305018206 1068062855 /nfs/dbraw/zinc/06/28/55/1068062855.db2.gz HLFXLDSNFNLKGM-YADHBBJMSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305018206 1068062868 /nfs/dbraw/zinc/06/28/68/1068062868.db2.gz HLFXLDSNFNLKGM-YADHBBJMSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018205 1068063083 /nfs/dbraw/zinc/06/30/83/1068063083.db2.gz HLFXLDSNFNLKGM-VXKWHMMOSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018205 1068063095 /nfs/dbraw/zinc/06/30/95/1068063095.db2.gz HLFXLDSNFNLKGM-VXKWHMMOSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305018205 1068063107 /nfs/dbraw/zinc/06/31/07/1068063107.db2.gz HLFXLDSNFNLKGM-VXKWHMMOSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305018205 1068063119 /nfs/dbraw/zinc/06/31/19/1068063119.db2.gz HLFXLDSNFNLKGM-VXKWHMMOSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018709 1068064400 /nfs/dbraw/zinc/06/44/00/1068064400.db2.gz IXJGFQRZZUMITQ-FCHUYYIVSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001305018709 1068064408 /nfs/dbraw/zinc/06/44/08/1068064408.db2.gz IXJGFQRZZUMITQ-FCHUYYIVSA-N 2 1 476.710 3.087 20 0 JGADMP C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305028725 1068086919 /nfs/dbraw/zinc/08/69/19/1068086919.db2.gz JDZUWKXCWPVEQS-YADHBBJMSA-N 2 1 473.710 3.079 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001303571458 1068096471 /nfs/dbraw/zinc/09/64/71/1068096471.db2.gz KYCJIKPKVLJWGK-QHCPKHFHSA-N 2 1 462.683 3.331 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001303571458 1068096485 /nfs/dbraw/zinc/09/64/85/1068096485.db2.gz KYCJIKPKVLJWGK-QHCPKHFHSA-N 2 1 462.683 3.331 20 0 JGADMP C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305049537 1068110029 /nfs/dbraw/zinc/11/00/29/1068110029.db2.gz PGIVABKSLBRDAH-JOCHJYFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305049537 1068110032 /nfs/dbraw/zinc/11/00/32/1068110032.db2.gz PGIVABKSLBRDAH-JOCHJYFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@@H]1CCC[NH+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305049537 1068110035 /nfs/dbraw/zinc/11/00/35/1068110035.db2.gz PGIVABKSLBRDAH-JOCHJYFZSA-N 2 1 469.678 3.399 20 0 JGADMP C[C@@H]1CCC[NH+](CCCCn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305049537 1068110040 /nfs/dbraw/zinc/11/00/40/1068110040.db2.gz PGIVABKSLBRDAH-JOCHJYFZSA-N 2 1 469.678 3.399 20 0 JGADMP 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 1068114989 /nfs/dbraw/zinc/11/49/89/1068114989.db2.gz ZJADYNYSPTVQQN-VSKRKVRLSA-N 2 1 489.709 3.311 20 0 JGADMP C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305058938 1068122323 /nfs/dbraw/zinc/12/23/23/1068122323.db2.gz JNTMYIWAEPAERE-HXUWFJFHSA-N 2 1 488.702 3.144 20 0 JGADMP C[C@@H]1CCC[NH+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305058938 1068122329 /nfs/dbraw/zinc/12/23/29/1068122329.db2.gz JNTMYIWAEPAERE-HXUWFJFHSA-N 2 1 488.702 3.144 20 0 JGADMP C[C@@H]1CCC[NH+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305058938 1068122337 /nfs/dbraw/zinc/12/23/37/1068122337.db2.gz JNTMYIWAEPAERE-HXUWFJFHSA-N 2 1 488.702 3.144 20 0 JGADMP C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001305065907 1068137477 /nfs/dbraw/zinc/13/74/77/1068137477.db2.gz JEBCGXTWECFCRH-JOCHJYFZSA-N 2 1 481.689 3.203 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305113704 1068190524 /nfs/dbraw/zinc/19/05/24/1068190524.db2.gz VZTIVRRPUAFMTM-FGZHOGPDSA-N 2 1 469.678 3.072 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305125714 1068212429 /nfs/dbraw/zinc/21/24/29/1068212429.db2.gz ZTVMZAMOKCPAQT-LEWJYISDSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001305125714 1068212433 /nfs/dbraw/zinc/21/24/33/1068212433.db2.gz ZTVMZAMOKCPAQT-LEWJYISDSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001305125714 1068212436 /nfs/dbraw/zinc/21/24/36/1068212436.db2.gz ZTVMZAMOKCPAQT-LEWJYISDSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134320 1068221657 /nfs/dbraw/zinc/22/16/57/1068221657.db2.gz DXHDEHKDHFJWLC-HFZDXXHNSA-N 2 1 476.710 3.217 20 0 JGADMP C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001303726330 1068278743 /nfs/dbraw/zinc/27/87/43/1068278743.db2.gz ATYIXHGWPIOIRN-FZOAFFARSA-N 2 1 482.652 3.211 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC001303736666 1068295164 /nfs/dbraw/zinc/29/51/64/1068295164.db2.gz NBWUZEFSEBJGIZ-PWRODBHTSA-N 2 1 487.718 3.311 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303757515 1068321014 /nfs/dbraw/zinc/32/10/14/1068321014.db2.gz XUULWRMULZCTPC-LEWJYISDSA-N 2 1 488.652 3.492 20 0 JGADMP C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932541 1068591807 /nfs/dbraw/zinc/59/18/07/1068591807.db2.gz VTNSEZIYIOJSQH-UFYCRDLUSA-N 2 1 474.625 3.197 20 0 JGADMP C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001303932538 1068591920 /nfs/dbraw/zinc/59/19/20/1068591920.db2.gz VTNSEZIYIOJSQH-AABGKKOBSA-N 2 1 474.625 3.197 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001305512607 1068755500 /nfs/dbraw/zinc/75/55/00/1068755500.db2.gz GFBBMWIWSIOXEN-ZDXQCDESSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001305512607 1068755505 /nfs/dbraw/zinc/75/55/05/1068755505.db2.gz GFBBMWIWSIOXEN-ZDXQCDESSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001305512607 1068755513 /nfs/dbraw/zinc/75/55/13/1068755513.db2.gz GFBBMWIWSIOXEN-ZDXQCDESSA-N 2 1 481.689 3.055 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305603757 1068868198 /nfs/dbraw/zinc/86/81/98/1068868198.db2.gz BZESTOBGJSGGAC-LJQANCHMSA-N 2 1 456.635 3.367 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305603756 1068868316 /nfs/dbraw/zinc/86/83/16/1068868316.db2.gz BZESTOBGJSGGAC-IBGZPJMESA-N 2 1 456.635 3.367 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001305611892 1068886927 /nfs/dbraw/zinc/88/69/27/1068886927.db2.gz AHEZSSCRTDZTRO-IBGZPJMESA-N 2 1 466.634 3.102 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305613566 1068889258 /nfs/dbraw/zinc/88/92/58/1068889258.db2.gz WMUJIVCHVUNHNQ-RTWAWAEBSA-N 2 1 470.662 3.374 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305613566 1068889275 /nfs/dbraw/zinc/88/92/75/1068889275.db2.gz WMUJIVCHVUNHNQ-RTWAWAEBSA-N 2 1 470.662 3.374 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305613566 1068889294 /nfs/dbraw/zinc/88/92/94/1068889294.db2.gz WMUJIVCHVUNHNQ-RTWAWAEBSA-N 2 1 470.662 3.374 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615610 1068893766 /nfs/dbraw/zinc/89/37/66/1068893766.db2.gz QIOIVJMOJKOIAO-QFIPXVFZSA-N 2 1 497.736 3.493 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305615610 1068893776 /nfs/dbraw/zinc/89/37/76/1068893776.db2.gz QIOIVJMOJKOIAO-QFIPXVFZSA-N 2 1 497.736 3.493 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305615610 1068893784 /nfs/dbraw/zinc/89/37/84/1068893784.db2.gz QIOIVJMOJKOIAO-QFIPXVFZSA-N 2 1 497.736 3.493 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305618705 1068902068 /nfs/dbraw/zinc/90/20/68/1068902068.db2.gz DGPADDZSDKYEJB-ICSRJNTNSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001305618705 1068902075 /nfs/dbraw/zinc/90/20/75/1068902075.db2.gz DGPADDZSDKYEJB-ICSRJNTNSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001305618705 1068902086 /nfs/dbraw/zinc/90/20/86/1068902086.db2.gz DGPADDZSDKYEJB-ICSRJNTNSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001305618705 1068902098 /nfs/dbraw/zinc/90/20/98/1068902098.db2.gz DGPADDZSDKYEJB-ICSRJNTNSA-N 2 1 479.094 3.475 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001305619242 1068902989 /nfs/dbraw/zinc/90/29/89/1068902989.db2.gz FVIPTKPVAFSURT-PWRODBHTSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001305619242 1068902994 /nfs/dbraw/zinc/90/29/94/1068902994.db2.gz FVIPTKPVAFSURT-PWRODBHTSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001305619242 1068902997 /nfs/dbraw/zinc/90/29/97/1068902997.db2.gz FVIPTKPVAFSURT-PWRODBHTSA-N 2 1 456.635 3.269 20 0 JGADMP 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 1068916428 /nfs/dbraw/zinc/91/64/28/1068916428.db2.gz XCAMAJRPLUOOLI-PCCBWWKXSA-N 2 1 489.709 3.454 20 0 JGADMP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC001305705119 1069092694 /nfs/dbraw/zinc/09/26/94/1069092694.db2.gz JDCZDFABYIHQPN-URXFXBBRSA-N 2 1 476.710 3.228 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305705566 1069093763 /nfs/dbraw/zinc/09/37/63/1069093763.db2.gz KYSDPAJMRRVPKF-WPYKKVEZSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001305705566 1069093776 /nfs/dbraw/zinc/09/37/76/1069093776.db2.gz KYSDPAJMRRVPKF-WPYKKVEZSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714232 1069117041 /nfs/dbraw/zinc/11/70/41/1069117041.db2.gz ZWPNSGHSPHVCAF-FGZHOGPDSA-N 2 1 459.683 3.050 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001305718730 1069126694 /nfs/dbraw/zinc/12/66/94/1069126694.db2.gz ZYWXXFLTORWZCT-SWUCNREESA-N 2 1 462.683 3.043 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1CCC(C)CC1 ZINC001305744094 1069182598 /nfs/dbraw/zinc/18/25/98/1069182598.db2.gz ZTSHTHPOKHEVMM-SFTDATJTSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305769531 1069245209 /nfs/dbraw/zinc/24/52/09/1069245209.db2.gz HDTWQYDOBBCNGB-YADHBBJMSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001305776896 1069261634 /nfs/dbraw/zinc/26/16/34/1069261634.db2.gz RQBSRJRIQIMJSS-NRFANRHFSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001305776896 1069261645 /nfs/dbraw/zinc/26/16/45/1069261645.db2.gz RQBSRJRIQIMJSS-NRFANRHFSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001305776896 1069261659 /nfs/dbraw/zinc/26/16/59/1069261659.db2.gz RQBSRJRIQIMJSS-NRFANRHFSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305780352 1069270676 /nfs/dbraw/zinc/27/06/76/1069270676.db2.gz CBDOMCFWTLVWSP-PMACEKPBSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305780352 1069270684 /nfs/dbraw/zinc/27/06/84/1069270684.db2.gz CBDOMCFWTLVWSP-PMACEKPBSA-N 2 1 487.718 3.483 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305786928 1069291708 /nfs/dbraw/zinc/29/17/08/1069291708.db2.gz ZJSRTTPPIGYLMY-KNQAVFIVSA-N 2 1 461.699 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305787456 1069294316 /nfs/dbraw/zinc/29/43/16/1069294316.db2.gz AFXCTEKMLMCAJT-XZOQPEGZSA-N 2 1 485.652 3.313 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@H+]1CC ZINC001305787941 1069295708 /nfs/dbraw/zinc/29/57/08/1069295708.db2.gz QJXTZEJWZFPLIW-URXFXBBRSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[NH+]1CC ZINC001305787941 1069295715 /nfs/dbraw/zinc/29/57/15/1069295715.db2.gz QJXTZEJWZFPLIW-URXFXBBRSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[NH+]1CC ZINC001305787941 1069295723 /nfs/dbraw/zinc/29/57/23/1069295723.db2.gz QJXTZEJWZFPLIW-URXFXBBRSA-N 2 1 481.689 3.392 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164389150 718815136 /nfs/dbraw/zinc/81/51/36/718815136.db2.gz UGEGZIFYFKOZHE-UTKZUKDTSA-N 2 1 497.606 3.391 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164389150 718815138 /nfs/dbraw/zinc/81/51/38/718815138.db2.gz UGEGZIFYFKOZHE-UTKZUKDTSA-N 2 1 497.606 3.391 20 0 JGADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3Cc5ncnn5C5(CC[NH2+]CC5)C3)n2)CCC4)CC1 ZINC001164414863 718885734 /nfs/dbraw/zinc/88/57/34/718885734.db2.gz ABRLMTZNNKFPGT-UHFFFAOYSA-N 2 1 478.670 3.102 20 0 JGADMP C(c1nc2sc3c(c2c(N2CCCO[C@@]4(C[NH2+]CCOC4)C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164426159 718916353 /nfs/dbraw/zinc/91/63/53/718916353.db2.gz XDEJTUXVVSEROY-VWLOTQADSA-N 2 1 471.671 3.141 20 0 JGADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620369 719008290 /nfs/dbraw/zinc/00/82/90/719008290.db2.gz YNRBQYPTXDHVFR-YWEHKCAJSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164620369 719008293 /nfs/dbraw/zinc/00/82/93/719008293.db2.gz YNRBQYPTXDHVFR-YWEHKCAJSA-N 2 1 475.637 3.184 20 0 JGADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164617096 719017817 /nfs/dbraw/zinc/01/78/17/719017817.db2.gz MBPQRPJTZRENMY-WDSOQIARSA-N 2 1 469.655 3.286 20 0 JGADMP 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 719046857 /nfs/dbraw/zinc/04/68/57/719046857.db2.gz QMKRHLJZACAUTG-ZJVHSOCCSA-N 2 1 491.680 3.464 20 0 JGADMP C[N@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@@H]21 ZINC001164669272 719426038 /nfs/dbraw/zinc/42/60/38/719426038.db2.gz LMXLIZNSZWEVNY-VXKWHMMOSA-N 2 1 455.002 3.276 20 0 JGADMP C[N@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4)C[C@H]21 ZINC001164669276 719426141 /nfs/dbraw/zinc/42/61/41/719426141.db2.gz LMXLIZNSZWEVNY-YADHBBJMSA-N 2 1 455.002 3.276 20 0 JGADMP CC(C)N(c1nc(Cl)ccc1C[NH+]1CCCC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164682257 719687033 /nfs/dbraw/zinc/68/70/33/719687033.db2.gz CDSISPQLKSNGEN-UHFFFAOYSA-N 2 1 486.064 3.192 20 0 JGADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687759 719687373 /nfs/dbraw/zinc/68/73/73/719687373.db2.gz VDOOSAUNFACRGA-DEOSSOPVSA-N 2 1 479.673 3.490 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737857 720761771 /nfs/dbraw/zinc/76/17/71/720761771.db2.gz DCRYEZOVVLGDNB-OALUTQOASA-N 2 1 465.627 3.036 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737857 720761784 /nfs/dbraw/zinc/76/17/84/720761784.db2.gz DCRYEZOVVLGDNB-OALUTQOASA-N 2 1 465.627 3.036 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739997 720833349 /nfs/dbraw/zinc/83/33/49/720833349.db2.gz BKUVDGBRTSXGJC-YPAWHYETSA-N 2 1 456.038 3.302 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739997 720833350 /nfs/dbraw/zinc/83/33/50/720833350.db2.gz BKUVDGBRTSXGJC-YPAWHYETSA-N 2 1 456.038 3.302 20 0 JGADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747230 720867433 /nfs/dbraw/zinc/86/74/33/720867433.db2.gz ATIPPAMBYQUZHV-JYFHCDHNSA-N 2 1 450.631 3.391 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164859328 720876572 /nfs/dbraw/zinc/87/65/72/720876572.db2.gz MTILSOOOFMICNJ-PMACEKPBSA-N 2 1 461.676 3.323 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164859328 720876574 /nfs/dbraw/zinc/87/65/74/720876574.db2.gz MTILSOOOFMICNJ-PMACEKPBSA-N 2 1 461.676 3.323 20 0 JGADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746453 720927518 /nfs/dbraw/zinc/92/75/18/720927518.db2.gz AFLBPZNSNRSUMW-LEAFIULHSA-N 2 1 492.668 3.005 20 0 JGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164788010 721471664 /nfs/dbraw/zinc/47/16/64/721471664.db2.gz HPDKSDXJEHBAHB-QHCPKHFHSA-N 3 1 472.674 3.289 20 0 JGADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164788010 721471666 /nfs/dbraw/zinc/47/16/66/721471666.db2.gz HPDKSDXJEHBAHB-QHCPKHFHSA-N 2 1 472.674 3.289 20 0 JGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164788010 721471668 /nfs/dbraw/zinc/47/16/68/721471668.db2.gz HPDKSDXJEHBAHB-QHCPKHFHSA-N 2 1 472.674 3.289 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)C2)cc1 ZINC001164958797 722050963 /nfs/dbraw/zinc/05/09/63/722050963.db2.gz GKVQIIMUVUNTHI-NZJKTDFXSA-N 2 1 456.594 3.335 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)C2)cc1 ZINC001164958797 722050965 /nfs/dbraw/zinc/05/09/65/722050965.db2.gz GKVQIIMUVUNTHI-NZJKTDFXSA-N 2 1 456.594 3.335 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)C2)cc1 ZINC001164958799 722051299 /nfs/dbraw/zinc/05/12/99/722051299.db2.gz GKVQIIMUVUNTHI-YMVVMYQSSA-N 2 1 456.594 3.335 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)C2)cc1 ZINC001164958799 722051302 /nfs/dbraw/zinc/05/13/02/722051302.db2.gz GKVQIIMUVUNTHI-YMVVMYQSSA-N 2 1 456.594 3.335 20 0 JGADMP CC(C)N(c1ccc(C[N@@H+](C)C2CC2)cn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164996887 722220513 /nfs/dbraw/zinc/22/05/13/722220513.db2.gz BSPGUCVELCGPBE-UHFFFAOYSA-N 2 1 462.642 3.445 20 0 JGADMP CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305805957 1069333193 /nfs/dbraw/zinc/33/31/93/1069333193.db2.gz ZRVHKMDWJPEORQ-LADGPHEKSA-N 2 1 497.688 3.179 20 0 JGADMP CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+]1CCCC1 ZINC001305805957 1069333197 /nfs/dbraw/zinc/33/31/97/1069333197.db2.gz ZRVHKMDWJPEORQ-LADGPHEKSA-N 2 1 497.688 3.179 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CC[NH+]1CCCCCC1 ZINC001298236390 1064142260 /nfs/dbraw/zinc/14/22/60/1064142260.db2.gz UOQRBFKMFRKOMF-UHFFFAOYSA-N 2 1 455.651 3.011 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001298239273 1064143469 /nfs/dbraw/zinc/14/34/69/1064143469.db2.gz GUANFEYRHDIRNX-DHIUTWEWSA-N 2 1 470.662 3.227 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001298240772 1064146590 /nfs/dbraw/zinc/14/65/90/1064146590.db2.gz WKYBVIOQQUBCBC-OAQYLSRUSA-N 2 1 462.683 3.189 20 0 JGADMP C[N@@H+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC001298662503 1064439538 /nfs/dbraw/zinc/43/95/38/1064439538.db2.gz KAWCQCYGKDMHSN-UHFFFAOYSA-N 2 1 473.710 3.479 20 0 JGADMP C[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001298662503 1064439544 /nfs/dbraw/zinc/43/95/44/1064439544.db2.gz KAWCQCYGKDMHSN-UHFFFAOYSA-N 2 1 473.710 3.479 20 0 JGADMP C[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001298662503 1064439552 /nfs/dbraw/zinc/43/95/52/1064439552.db2.gz KAWCQCYGKDMHSN-UHFFFAOYSA-N 2 1 473.710 3.479 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298728575 1064542245 /nfs/dbraw/zinc/54/22/45/1064542245.db2.gz XCYJMIWLWMZUSB-OAQYLSRUSA-N 2 1 461.054 3.486 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298728575 1064542255 /nfs/dbraw/zinc/54/22/55/1064542255.db2.gz XCYJMIWLWMZUSB-OAQYLSRUSA-N 2 1 461.054 3.486 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299842621 1065039196 /nfs/dbraw/zinc/03/91/96/1065039196.db2.gz AWPQTFNIFRICTL-CTNGQTDRSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842621 1065039210 /nfs/dbraw/zinc/03/92/10/1065039210.db2.gz AWPQTFNIFRICTL-CTNGQTDRSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842621 1065039221 /nfs/dbraw/zinc/03/92/21/1065039221.db2.gz AWPQTFNIFRICTL-CTNGQTDRSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299842622 1065039252 /nfs/dbraw/zinc/03/92/52/1065039252.db2.gz AWPQTFNIFRICTL-FPOVZHCZSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842622 1065039263 /nfs/dbraw/zinc/03/92/63/1065039263.db2.gz AWPQTFNIFRICTL-FPOVZHCZSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842622 1065039273 /nfs/dbraw/zinc/03/92/73/1065039273.db2.gz AWPQTFNIFRICTL-FPOVZHCZSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@@H+](C)C(C)C)cc(OC)c1OC ZINC001299842623 1065039489 /nfs/dbraw/zinc/03/94/89/1065039489.db2.gz AWPQTFNIFRICTL-PZJWPPBQSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842623 1065039502 /nfs/dbraw/zinc/03/95/02/1065039502.db2.gz AWPQTFNIFRICTL-PZJWPPBQSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc(OC)c1OC ZINC001299842623 1065039514 /nfs/dbraw/zinc/03/95/14/1065039514.db2.gz AWPQTFNIFRICTL-PZJWPPBQSA-N 2 1 486.661 3.374 20 0 JGADMP COc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC001299892761 1065121246 /nfs/dbraw/zinc/12/12/46/1065121246.db2.gz LSMFNXZGWAJNGS-SFHVURJKSA-N 2 1 468.602 3.136 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001299908409 1065152707 /nfs/dbraw/zinc/15/27/07/1065152707.db2.gz UOGBNPNSBMPDNZ-UHFFFAOYSA-N 2 1 479.069 3.496 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001299991453 1065296766 /nfs/dbraw/zinc/29/67/66/1065296766.db2.gz VZTUDOQZECVRIF-UHFFFAOYSA-N 2 1 477.657 3.243 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001299991453 1065296780 /nfs/dbraw/zinc/29/67/80/1065296780.db2.gz VZTUDOQZECVRIF-UHFFFAOYSA-N 2 1 477.657 3.243 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492383274 1065447073 /nfs/dbraw/zinc/44/70/73/1065447073.db2.gz QGGDHKDHHVREBG-DEOSSOPVSA-N 2 1 470.662 3.053 20 0 JGADMP 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 1066335424 /nfs/dbraw/zinc/33/54/24/1066335424.db2.gz TZDOHPZXPALOJT-YDLSIGKMSA-N 2 1 474.625 3.117 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093891 1066521759 /nfs/dbraw/zinc/52/17/59/1066521759.db2.gz XRGIEVMEKLHTEK-XPWALMASSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001302093891 1066521770 /nfs/dbraw/zinc/52/17/70/1066521770.db2.gz XRGIEVMEKLHTEK-XPWALMASSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001302093891 1066521776 /nfs/dbraw/zinc/52/17/76/1066521776.db2.gz XRGIEVMEKLHTEK-XPWALMASSA-N 2 1 462.683 3.045 20 0 JGADMP 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 1066600036 /nfs/dbraw/zinc/60/00/36/1066600036.db2.gz KYVKKOJVWUEOCD-GRSYGWAWSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001301708298 1066600043 /nfs/dbraw/zinc/60/00/43/1066600043.db2.gz KYVKKOJVWUEOCD-GRSYGWAWSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001301708298 1066600051 /nfs/dbraw/zinc/60/00/51/1066600051.db2.gz KYVKKOJVWUEOCD-GRSYGWAWSA-N 2 1 487.737 3.075 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301709048 1066601952 /nfs/dbraw/zinc/60/19/52/1066601952.db2.gz RUKPQQUVXLEWDI-ZCYQVOJMSA-N 2 1 487.737 3.122 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301714392 1066615474 /nfs/dbraw/zinc/61/54/74/1066615474.db2.gz SYEYDOXJDOLVEM-UHFFFAOYSA-N 2 1 464.058 3.272 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301714392 1066615479 /nfs/dbraw/zinc/61/54/79/1066615479.db2.gz SYEYDOXJDOLVEM-UHFFFAOYSA-N 2 1 464.058 3.272 20 0 JGADMP COCC[NH+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301714392 1066615486 /nfs/dbraw/zinc/61/54/86/1066615486.db2.gz SYEYDOXJDOLVEM-UHFFFAOYSA-N 2 1 464.058 3.272 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301719564 1066621397 /nfs/dbraw/zinc/62/13/97/1066621397.db2.gz RUSNDKXXXNKKDM-UHFFFAOYSA-N 2 1 481.645 3.489 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001301725326 1066639562 /nfs/dbraw/zinc/63/95/62/1066639562.db2.gz CZEAZLMMSGGVOZ-HXUWFJFHSA-N 2 1 452.603 3.135 20 0 JGADMP COCC[NH+](C)CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001301725326 1066639569 /nfs/dbraw/zinc/63/95/69/1066639569.db2.gz CZEAZLMMSGGVOZ-HXUWFJFHSA-N 2 1 452.603 3.135 20 0 JGADMP COCC[NH+](C)CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001301725326 1066639575 /nfs/dbraw/zinc/63/95/75/1066639575.db2.gz CZEAZLMMSGGVOZ-HXUWFJFHSA-N 2 1 452.603 3.135 20 0 JGADMP CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001302177455 1066653168 /nfs/dbraw/zinc/65/31/68/1066653168.db2.gz WXKVGLNWVKRMCY-LJQANCHMSA-N 2 1 497.610 3.417 20 0 JGADMP COCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301733526 1066653855 /nfs/dbraw/zinc/65/38/55/1066653855.db2.gz GSVHUPSWBZAKGA-UHFFFAOYSA-N 2 1 458.626 3.041 20 0 JGADMP CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302200905 1066695378 /nfs/dbraw/zinc/69/53/78/1066695378.db2.gz UCQVMJFCSFMOHU-UHFFFAOYSA-N 2 1 460.692 3.352 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001302200905 1066695380 /nfs/dbraw/zinc/69/53/80/1066695380.db2.gz UCQVMJFCSFMOHU-UHFFFAOYSA-N 2 1 460.692 3.352 20 0 JGADMP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874096 1066874008 /nfs/dbraw/zinc/87/40/08/1066874008.db2.gz DPZDQBSERWJZPF-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874096 1066874018 /nfs/dbraw/zinc/87/40/18/1066874018.db2.gz DPZDQBSERWJZPF-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001301874096 1066874023 /nfs/dbraw/zinc/87/40/23/1066874023.db2.gz DPZDQBSERWJZPF-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301876326 1066877228 /nfs/dbraw/zinc/87/72/28/1066877228.db2.gz ZXWBPRNWKOTNGN-HSZRJFAPSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001301876326 1066877231 /nfs/dbraw/zinc/87/72/31/1066877231.db2.gz ZXWBPRNWKOTNGN-HSZRJFAPSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001301877740 1066880313 /nfs/dbraw/zinc/88/03/13/1066880313.db2.gz RDALBZQYWLHCOC-VQTJNVASSA-N 2 1 474.625 3.198 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301886512 1066897997 /nfs/dbraw/zinc/89/79/97/1066897997.db2.gz AHFBKRUTBJLXMV-UHFFFAOYSA-N 2 1 488.011 3.033 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001301886512 1066897999 /nfs/dbraw/zinc/89/79/99/1066897999.db2.gz AHFBKRUTBJLXMV-UHFFFAOYSA-N 2 1 488.011 3.033 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCCC2)C[C@H]1C ZINC001301888526 1066904278 /nfs/dbraw/zinc/90/42/78/1066904278.db2.gz RIWVKIUNYJJCLV-GOSISDBHSA-N 2 1 465.017 3.380 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001301892976 1066914228 /nfs/dbraw/zinc/91/42/28/1066914228.db2.gz XZOTWXIHWZKCQA-XZOQPEGZSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892976 1066914233 /nfs/dbraw/zinc/91/42/33/1066914233.db2.gz XZOTWXIHWZKCQA-XZOQPEGZSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001301892976 1066914239 /nfs/dbraw/zinc/91/42/39/1066914239.db2.gz XZOTWXIHWZKCQA-XZOQPEGZSA-N 2 1 454.663 3.470 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301895847 1066916447 /nfs/dbraw/zinc/91/64/47/1066916447.db2.gz ATIHOPQOSUDXGT-SZPZYZBQSA-N 2 1 454.663 3.390 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001301895847 1066916459 /nfs/dbraw/zinc/91/64/59/1066916459.db2.gz ATIHOPQOSUDXGT-SZPZYZBQSA-N 2 1 454.663 3.390 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001301895836 1066916863 /nfs/dbraw/zinc/91/68/63/1066916863.db2.gz APUHISMVAUVOMJ-FGZHOGPDSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001301895836 1066916872 /nfs/dbraw/zinc/91/68/72/1066916872.db2.gz APUHISMVAUVOMJ-FGZHOGPDSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001301895836 1066916879 /nfs/dbraw/zinc/91/68/79/1066916879.db2.gz APUHISMVAUVOMJ-FGZHOGPDSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918081 /nfs/dbraw/zinc/91/80/81/1066918081.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918084 /nfs/dbraw/zinc/91/80/84/1066918084.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918090 /nfs/dbraw/zinc/91/80/90/1066918090.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001301896435 1066919494 /nfs/dbraw/zinc/91/94/94/1066919494.db2.gz JVFGKMCPIOFSOB-IFMALSPDSA-N 2 1 452.603 3.306 20 0 JGADMP 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 1066943177 /nfs/dbraw/zinc/94/31/77/1066943177.db2.gz NSSGMOBLIZUPSR-LUKWVAJMSA-N 2 1 476.710 3.433 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001301918359 1066948267 /nfs/dbraw/zinc/94/82/67/1066948267.db2.gz ACNFQJBZSSSMKX-HXUWFJFHSA-N 2 1 458.626 3.039 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301918436 1066949126 /nfs/dbraw/zinc/94/91/26/1066949126.db2.gz BUGRBHJKKCYERM-SFTDATJTSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301918436 1066949136 /nfs/dbraw/zinc/94/91/36/1066949136.db2.gz BUGRBHJKKCYERM-SFTDATJTSA-N 2 1 475.081 3.411 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301918436 1066949147 /nfs/dbraw/zinc/94/91/47/1066949147.db2.gz BUGRBHJKKCYERM-SFTDATJTSA-N 2 1 475.081 3.411 20 0 JGADMP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302358898 1066949966 /nfs/dbraw/zinc/94/99/66/1066949966.db2.gz VMGZPXCHDIRPTD-HSZRJFAPSA-N 2 1 469.678 3.008 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001301919565 1066950748 /nfs/dbraw/zinc/95/07/48/1066950748.db2.gz IHPZYJVNZOYLKL-OAQYLSRUSA-N 2 1 458.626 3.041 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001301919565 1066950755 /nfs/dbraw/zinc/95/07/55/1066950755.db2.gz IHPZYJVNZOYLKL-OAQYLSRUSA-N 2 1 458.626 3.041 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301922727 1066956344 /nfs/dbraw/zinc/95/63/44/1066956344.db2.gz YNSQDERUFIUWAT-QTJGBDASSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301922727 1066956349 /nfs/dbraw/zinc/95/63/49/1066956349.db2.gz YNSQDERUFIUWAT-QTJGBDASSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301922727 1066956355 /nfs/dbraw/zinc/95/63/55/1066956355.db2.gz YNSQDERUFIUWAT-QTJGBDASSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301924251 1066957997 /nfs/dbraw/zinc/95/79/97/1066957997.db2.gz TUPJEEINKLYFJL-ACRUOGEOSA-N 2 1 460.692 3.208 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301924251 1066958007 /nfs/dbraw/zinc/95/80/07/1066958007.db2.gz TUPJEEINKLYFJL-ACRUOGEOSA-N 2 1 460.692 3.208 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001301924251 1066958014 /nfs/dbraw/zinc/95/80/14/1066958014.db2.gz TUPJEEINKLYFJL-ACRUOGEOSA-N 2 1 460.692 3.208 20 0 JGADMP CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001302519790 1067139590 /nfs/dbraw/zinc/13/95/90/1067139590.db2.gz QSBOAZOPOXFQAJ-QHCPKHFHSA-N 2 1 471.694 3.199 20 0 JGADMP CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001302519789 1067139683 /nfs/dbraw/zinc/13/96/83/1067139683.db2.gz QSBOAZOPOXFQAJ-HSZRJFAPSA-N 2 1 471.694 3.199 20 0 JGADMP CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC001302523887 1067145148 /nfs/dbraw/zinc/14/51/48/1067145148.db2.gz LPMLXHCNJCZCFX-DHIUTWEWSA-N 2 1 476.710 3.087 20 0 JGADMP CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001302525603 1067148622 /nfs/dbraw/zinc/14/86/22/1067148622.db2.gz ONGLUGQWTMSKSO-DEOSSOPVSA-N 2 1 472.653 3.285 20 0 JGADMP CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001302525603 1067148625 /nfs/dbraw/zinc/14/86/25/1067148625.db2.gz ONGLUGQWTMSKSO-DEOSSOPVSA-N 2 1 472.653 3.285 20 0 JGADMP CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302629259 1067259503 /nfs/dbraw/zinc/25/95/03/1067259503.db2.gz NSGDDKGDNOLTCQ-DEOSSOPVSA-N 2 1 464.724 3.166 20 0 JGADMP CC(C)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302629259 1067259509 /nfs/dbraw/zinc/25/95/09/1067259509.db2.gz NSGDDKGDNOLTCQ-DEOSSOPVSA-N 2 1 464.724 3.166 20 0 JGADMP CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302629260 1067259548 /nfs/dbraw/zinc/25/95/48/1067259548.db2.gz NSGDDKGDNOLTCQ-XMMPIXPASA-N 2 1 464.724 3.166 20 0 JGADMP CC(C)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302629260 1067259552 /nfs/dbraw/zinc/25/95/52/1067259552.db2.gz NSGDDKGDNOLTCQ-XMMPIXPASA-N 2 1 464.724 3.166 20 0 JGADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304269077 1067303594 /nfs/dbraw/zinc/30/35/94/1067303594.db2.gz UUSCWFWEHNFHTH-PKTZIBPZSA-N 2 1 484.689 3.398 20 0 JGADMP Cc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001304308666 1067356185 /nfs/dbraw/zinc/35/61/85/1067356185.db2.gz QNDQFLMAYSCHCS-WFXMLNOXSA-N 2 1 491.478 3.123 20 0 JGADMP CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802576 1067391166 /nfs/dbraw/zinc/39/11/66/1067391166.db2.gz FWEGRHWWXCYQQE-DNQXCXABSA-N 2 1 481.689 3.201 20 0 JGADMP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[NH+](C)C ZINC001302824803 1067414318 /nfs/dbraw/zinc/41/43/18/1067414318.db2.gz UBAOMMYAIWMQMR-DNQXCXABSA-N 2 1 475.726 3.101 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304376524 1067418054 /nfs/dbraw/zinc/41/80/54/1067418054.db2.gz ZMSQEVGZAUUOQR-NFBKMPQASA-N 2 1 497.688 3.036 20 0 JGADMP CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302900432 1067483001 /nfs/dbraw/zinc/48/30/01/1067483001.db2.gz XEWLCWGRHCVGDU-UHFFFAOYSA-N 2 1 459.727 3.347 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001302905517 1067490343 /nfs/dbraw/zinc/49/03/43/1067490343.db2.gz RJEJQPLBZRNXQM-ZFGGDYGUSA-N 2 1 470.662 3.175 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC001302905517 1067490348 /nfs/dbraw/zinc/49/03/48/1067490348.db2.gz RJEJQPLBZRNXQM-ZFGGDYGUSA-N 2 1 470.662 3.175 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905727 1067490913 /nfs/dbraw/zinc/49/09/13/1067490913.db2.gz VQWSOTABCXBGLM-SGKWCMOWSA-N 2 1 470.662 3.020 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905727 1067490916 /nfs/dbraw/zinc/49/09/16/1067490916.db2.gz VQWSOTABCXBGLM-SGKWCMOWSA-N 2 1 470.662 3.020 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC001302908869 1067493469 /nfs/dbraw/zinc/49/34/69/1067493469.db2.gz MFOCQCHVKZEYCZ-VWPQPMDRSA-N 2 1 483.686 3.174 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC001302908869 1067493474 /nfs/dbraw/zinc/49/34/74/1067493474.db2.gz MFOCQCHVKZEYCZ-VWPQPMDRSA-N 2 1 483.686 3.174 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001302934386 1067508975 /nfs/dbraw/zinc/50/89/75/1067508975.db2.gz WZMWLRVVUBOSQT-UHFFFAOYSA-N 2 1 467.706 3.215 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302934386 1067509002 /nfs/dbraw/zinc/50/90/02/1067509002.db2.gz WZMWLRVVUBOSQT-UHFFFAOYSA-N 2 1 467.706 3.215 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302934386 1067509009 /nfs/dbraw/zinc/50/90/09/1067509009.db2.gz WZMWLRVVUBOSQT-UHFFFAOYSA-N 2 1 467.706 3.215 20 0 JGADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001302937058 1067510176 /nfs/dbraw/zinc/51/01/76/1067510176.db2.gz HWZQOUPRTJVGKQ-OAQYLSRUSA-N 2 1 470.691 3.287 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001302961317 1067532642 /nfs/dbraw/zinc/53/26/42/1067532642.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001302961317 1067532648 /nfs/dbraw/zinc/53/26/48/1067532648.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC[NH+]1CCOCC1(C)C ZINC001302961317 1067532651 /nfs/dbraw/zinc/53/26/51/1067532651.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC[NH+]1CCOCC1(C)C ZINC001302961317 1067532655 /nfs/dbraw/zinc/53/26/55/1067532655.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 2 1 454.663 3.298 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302961976 1067533206 /nfs/dbraw/zinc/53/32/06/1067533206.db2.gz RBSUAOQIGWNBIM-XMMPIXPASA-N 2 1 481.733 3.461 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302961976 1067533219 /nfs/dbraw/zinc/53/32/19/1067533219.db2.gz RBSUAOQIGWNBIM-XMMPIXPASA-N 2 1 481.733 3.461 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302961976 1067533228 /nfs/dbraw/zinc/53/32/28/1067533228.db2.gz RBSUAOQIGWNBIM-XMMPIXPASA-N 2 1 481.733 3.461 20 0 JGADMP Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304548763 1067617664 /nfs/dbraw/zinc/61/76/64/1067617664.db2.gz RTOVCUPCDROFAU-UHFFFAOYSA-N 2 1 468.690 3.456 20 0 JGADMP Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001304548763 1067617666 /nfs/dbraw/zinc/61/76/66/1067617666.db2.gz RTOVCUPCDROFAU-UHFFFAOYSA-N 2 1 468.690 3.456 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001304559102 1067628299 /nfs/dbraw/zinc/62/82/99/1067628299.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001304559102 1067628303 /nfs/dbraw/zinc/62/83/03/1067628303.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001304559102 1067628309 /nfs/dbraw/zinc/62/83/09/1067628309.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001304559102 1067628313 /nfs/dbraw/zinc/62/83/13/1067628313.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001304559102 1067628316 /nfs/dbraw/zinc/62/83/16/1067628316.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304559102 1067628320 /nfs/dbraw/zinc/62/83/20/1067628320.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304559102 1067628323 /nfs/dbraw/zinc/62/83/23/1067628323.db2.gz HXZLRSSWJAVHSH-UHFFFAOYSA-N 2 1 467.706 3.124 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCOCC2)cs1 ZINC001304674371 1067744666 /nfs/dbraw/zinc/74/46/66/1067744666.db2.gz OSIIJCXPXHSDIK-UHFFFAOYSA-N 2 1 489.734 3.303 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303257272 1067784148 /nfs/dbraw/zinc/78/41/48/1067784148.db2.gz FEFFYHUBWGXCSF-UHFFFAOYSA-N 2 1 459.727 3.376 20 0 JGADMP CC(C)[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303257272 1067784155 /nfs/dbraw/zinc/78/41/55/1067784155.db2.gz FEFFYHUBWGXCSF-UHFFFAOYSA-N 2 1 459.727 3.376 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303257272 1067784158 /nfs/dbraw/zinc/78/41/58/1067784158.db2.gz FEFFYHUBWGXCSF-UHFFFAOYSA-N 2 1 459.727 3.376 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303257910 1067784575 /nfs/dbraw/zinc/78/45/75/1067784575.db2.gz JIGDYZWFWAPIET-HSZRJFAPSA-N 2 1 476.710 3.312 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001303264596 1067792036 /nfs/dbraw/zinc/79/20/36/1067792036.db2.gz LVRHEZDHCZMOLC-QHCPKHFHSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001303264596 1067792042 /nfs/dbraw/zinc/79/20/42/1067792042.db2.gz LVRHEZDHCZMOLC-QHCPKHFHSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001303264596 1067792048 /nfs/dbraw/zinc/79/20/48/1067792048.db2.gz LVRHEZDHCZMOLC-QHCPKHFHSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303266368 1067793321 /nfs/dbraw/zinc/79/33/21/1067793321.db2.gz PPSKONJLKKDQIV-RUZDIDTESA-N 2 1 458.626 3.039 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303266368 1067793330 /nfs/dbraw/zinc/79/33/30/1067793330.db2.gz PPSKONJLKKDQIV-RUZDIDTESA-N 2 1 458.626 3.039 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(CCc2ccccc2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001303267543 1067794534 /nfs/dbraw/zinc/79/45/34/1067794534.db2.gz CRAXFLHDLICPHF-QHCPKHFHSA-N 2 1 468.690 3.483 20 0 JGADMP CC(C)[NH+](C)CCCn1c(CCc2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001303267543 1067794547 /nfs/dbraw/zinc/79/45/47/1067794547.db2.gz CRAXFLHDLICPHF-QHCPKHFHSA-N 2 1 468.690 3.483 20 0 JGADMP CC(C)[NH+](C)CCCn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303267543 1067794559 /nfs/dbraw/zinc/79/45/59/1067794559.db2.gz CRAXFLHDLICPHF-QHCPKHFHSA-N 2 1 468.690 3.483 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001303268342 1067795671 /nfs/dbraw/zinc/79/56/71/1067795671.db2.gz GCIFGSHPXSJFNN-DOTOQJQBSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303268342 1067795679 /nfs/dbraw/zinc/79/56/79/1067795679.db2.gz GCIFGSHPXSJFNN-DOTOQJQBSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001303268342 1067795688 /nfs/dbraw/zinc/79/56/88/1067795688.db2.gz GCIFGSHPXSJFNN-DOTOQJQBSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001303268344 1067796452 /nfs/dbraw/zinc/79/64/52/1067796452.db2.gz GCIFGSHPXSJFNN-RDJZCZTQSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001303268344 1067796460 /nfs/dbraw/zinc/79/64/60/1067796460.db2.gz GCIFGSHPXSJFNN-RDJZCZTQSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[NH+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001303268344 1067796466 /nfs/dbraw/zinc/79/64/66/1067796466.db2.gz GCIFGSHPXSJFNN-RDJZCZTQSA-N 2 1 450.429 3.049 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC001303268536 1067796509 /nfs/dbraw/zinc/79/65/09/1067796509.db2.gz IXJQBERTSOSYNL-QFIPXVFZSA-N 2 1 490.656 3.366 20 0 JGADMP CC(C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303268536 1067796519 /nfs/dbraw/zinc/79/65/19/1067796519.db2.gz IXJQBERTSOSYNL-QFIPXVFZSA-N 2 1 490.656 3.366 20 0 JGADMP CC(C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303268536 1067796522 /nfs/dbraw/zinc/79/65/22/1067796522.db2.gz IXJQBERTSOSYNL-QFIPXVFZSA-N 2 1 490.656 3.366 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001304725418 1067797620 /nfs/dbraw/zinc/79/76/20/1067797620.db2.gz MEFYHFSLPQYEGA-NRFANRHFSA-N 2 1 470.691 3.438 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001303269268 1067797976 /nfs/dbraw/zinc/79/79/76/1067797976.db2.gz WEXVSLMYIVBOAD-MDNUFGMLSA-N 2 1 472.682 3.113 20 0 JGADMP CC(C)[NH+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001303269268 1067797983 /nfs/dbraw/zinc/79/79/83/1067797983.db2.gz WEXVSLMYIVBOAD-MDNUFGMLSA-N 2 1 472.682 3.113 20 0 JGADMP CC(C)[NH+](C)CCCn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001303269268 1067797991 /nfs/dbraw/zinc/79/79/91/1067797991.db2.gz WEXVSLMYIVBOAD-MDNUFGMLSA-N 2 1 472.682 3.113 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001303271230 1067800011 /nfs/dbraw/zinc/80/00/11/1067800011.db2.gz OVFZVMHSHPZFTP-QFIPXVFZSA-N 2 1 484.048 3.189 20 0 JGADMP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303278640 1067807069 /nfs/dbraw/zinc/80/70/69/1067807069.db2.gz LTRICUAPEDXTBG-CIAFKFPVSA-N 2 1 464.699 3.082 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303278640 1067807080 /nfs/dbraw/zinc/80/70/80/1067807080.db2.gz LTRICUAPEDXTBG-CIAFKFPVSA-N 2 1 464.699 3.082 20 0 JGADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303278640 1067807089 /nfs/dbraw/zinc/80/70/89/1067807089.db2.gz LTRICUAPEDXTBG-CIAFKFPVSA-N 2 1 464.699 3.082 20 0 JGADMP CC(C)[NH+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303278640 1067807095 /nfs/dbraw/zinc/80/70/95/1067807095.db2.gz LTRICUAPEDXTBG-CIAFKFPVSA-N 2 1 464.699 3.082 20 0 JGADMP CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC001303296938 1067820761 /nfs/dbraw/zinc/82/07/61/1067820761.db2.gz MYWIDZLKWKLPOZ-QHCPKHFHSA-N 2 1 494.750 3.001 20 0 JGADMP CC(C)[NH+](CCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC001303297763 1067821911 /nfs/dbraw/zinc/82/19/11/1067821911.db2.gz MUBACVCUYPPBOU-UHFFFAOYSA-N 2 1 481.689 3.232 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[NH+]2CCCO)CC1 ZINC001303307328 1067835214 /nfs/dbraw/zinc/83/52/14/1067835214.db2.gz APNOBVSQRCLJKD-HXUWFJFHSA-N 2 1 461.054 3.366 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001303307328 1067835230 /nfs/dbraw/zinc/83/52/30/1067835230.db2.gz APNOBVSQRCLJKD-HXUWFJFHSA-N 2 1 461.054 3.366 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001303307328 1067835241 /nfs/dbraw/zinc/83/52/41/1067835241.db2.gz APNOBVSQRCLJKD-HXUWFJFHSA-N 2 1 461.054 3.366 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001303310031 1067838338 /nfs/dbraw/zinc/83/83/38/1067838338.db2.gz DNTHRHKDYZDRMX-HSZRJFAPSA-N 2 1 497.471 3.151 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001303310031 1067838356 /nfs/dbraw/zinc/83/83/56/1067838356.db2.gz DNTHRHKDYZDRMX-HSZRJFAPSA-N 2 1 497.471 3.151 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303310031 1067838369 /nfs/dbraw/zinc/83/83/69/1067838369.db2.gz DNTHRHKDYZDRMX-HSZRJFAPSA-N 2 1 497.471 3.151 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304760083 1067845956 /nfs/dbraw/zinc/84/59/56/1067845956.db2.gz OJQVEDHZRPUKFA-NRFANRHFSA-N 2 1 470.691 3.425 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304760083 1067845962 /nfs/dbraw/zinc/84/59/62/1067845962.db2.gz OJQVEDHZRPUKFA-NRFANRHFSA-N 2 1 470.691 3.425 20 0 JGADMP Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC001304822520 1067892491 /nfs/dbraw/zinc/89/24/91/1067892491.db2.gz PXWJXGSWFHQBBD-RUZDIDTESA-N 2 1 454.663 3.148 20 0 JGADMP Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001304822520 1067892509 /nfs/dbraw/zinc/89/25/09/1067892509.db2.gz PXWJXGSWFHQBBD-RUZDIDTESA-N 2 1 454.663 3.148 20 0 JGADMP Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001304822520 1067892527 /nfs/dbraw/zinc/89/25/27/1067892527.db2.gz PXWJXGSWFHQBBD-RUZDIDTESA-N 2 1 454.663 3.148 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[NH+](C3CCCC3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001303396936 1067925549 /nfs/dbraw/zinc/92/55/49/1067925549.db2.gz YQDJFBMUVNMBIC-UHFFFAOYSA-N 2 1 485.652 3.142 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC[NH+](C)Cc1ccc(F)cc1 ZINC001303396936 1067925556 /nfs/dbraw/zinc/92/55/56/1067925556.db2.gz YQDJFBMUVNMBIC-UHFFFAOYSA-N 2 1 485.652 3.142 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC[NH+](C)Cc1ccc(F)cc1 ZINC001303396936 1067925567 /nfs/dbraw/zinc/92/55/67/1067925567.db2.gz YQDJFBMUVNMBIC-UHFFFAOYSA-N 2 1 485.652 3.142 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303397447 1067925952 /nfs/dbraw/zinc/92/59/52/1067925952.db2.gz JZMXNVZOOZWKTD-UHFFFAOYSA-N 2 1 499.679 3.390 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303405184 1067933364 /nfs/dbraw/zinc/93/33/64/1067933364.db2.gz KHKJFDKACSFAEI-UHFFFAOYSA-N 2 1 467.662 3.003 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303410138 1067936647 /nfs/dbraw/zinc/93/66/47/1067936647.db2.gz QAXZHNPOGNJWAK-JOCHJYFZSA-N 2 1 483.705 3.495 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304911989 1067955625 /nfs/dbraw/zinc/95/56/25/1067955625.db2.gz NQSAVONMJXEUNI-FDFHNCONSA-N 2 1 476.710 3.433 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304911989 1067955630 /nfs/dbraw/zinc/95/56/30/1067955630.db2.gz NQSAVONMJXEUNI-FDFHNCONSA-N 2 1 476.710 3.433 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001304923239 1067964774 /nfs/dbraw/zinc/96/47/74/1067964774.db2.gz AOBOGXATVZHHEK-KAOXLYBCSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001304923239 1067964777 /nfs/dbraw/zinc/96/47/77/1067964777.db2.gz AOBOGXATVZHHEK-KAOXLYBCSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001304923237 1067964874 /nfs/dbraw/zinc/96/48/74/1067964874.db2.gz AOBOGXATVZHHEK-BJESRGMDSA-N 2 1 460.711 3.491 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001304923237 1067964877 /nfs/dbraw/zinc/96/48/77/1067964877.db2.gz AOBOGXATVZHHEK-BJESRGMDSA-N 2 1 460.711 3.491 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304924813 1067967797 /nfs/dbraw/zinc/96/77/97/1067967797.db2.gz KTHPKJXPEUADSX-ZRZAMGCNSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304924813 1067967800 /nfs/dbraw/zinc/96/78/00/1067967800.db2.gz KTHPKJXPEUADSX-ZRZAMGCNSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304924813 1067967801 /nfs/dbraw/zinc/96/78/01/1067967801.db2.gz KTHPKJXPEUADSX-ZRZAMGCNSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304925158 1067968122 /nfs/dbraw/zinc/96/81/22/1067968122.db2.gz LCHGAZLTOXQZHY-ZRZAMGCNSA-N 2 1 487.737 3.439 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304925158 1067968127 /nfs/dbraw/zinc/96/81/27/1067968127.db2.gz LCHGAZLTOXQZHY-ZRZAMGCNSA-N 2 1 487.737 3.439 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304925158 1067968132 /nfs/dbraw/zinc/96/81/32/1067968132.db2.gz LCHGAZLTOXQZHY-ZRZAMGCNSA-N 2 1 487.737 3.439 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304928065 1067975186 /nfs/dbraw/zinc/97/51/86/1067975186.db2.gz LWHQLFMSYASCAG-DHIUTWEWSA-N 2 1 483.705 3.179 20 0 JGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304928065 1067975190 /nfs/dbraw/zinc/97/51/90/1067975190.db2.gz LWHQLFMSYASCAG-DHIUTWEWSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001303467888 1067987008 /nfs/dbraw/zinc/98/70/08/1067987008.db2.gz MEOBDXLYFRKWDV-DHIUTWEWSA-N 2 1 489.753 3.190 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001303467888 1067987016 /nfs/dbraw/zinc/98/70/16/1067987016.db2.gz MEOBDXLYFRKWDV-DHIUTWEWSA-N 2 1 489.753 3.190 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001303467888 1067987025 /nfs/dbraw/zinc/98/70/25/1067987025.db2.gz MEOBDXLYFRKWDV-DHIUTWEWSA-N 2 1 489.753 3.190 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001304980175 1068018873 /nfs/dbraw/zinc/01/88/73/1068018873.db2.gz GPZMLCRJAIZZOX-XPPIMPSXSA-N 2 1 473.710 3.045 20 0 JGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCOCC[NH+](C)C)C1 ZINC001305014299 1068055529 /nfs/dbraw/zinc/05/55/29/1068055529.db2.gz QMTYQPXOZJVICB-VXKWHMMOSA-N 2 1 455.651 3.009 20 0 JGADMP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018204 1068062914 /nfs/dbraw/zinc/06/29/14/1068062914.db2.gz HLFXLDSNFNLKGM-FGZHOGPDSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305018204 1068062929 /nfs/dbraw/zinc/06/29/29/1068062929.db2.gz HLFXLDSNFNLKGM-FGZHOGPDSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305018204 1068062946 /nfs/dbraw/zinc/06/29/46/1068062946.db2.gz HLFXLDSNFNLKGM-FGZHOGPDSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCC[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305018204 1068062961 /nfs/dbraw/zinc/06/29/61/1068062961.db2.gz HLFXLDSNFNLKGM-FGZHOGPDSA-N 2 1 476.710 3.230 20 0 JGADMP C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305018562 1068063567 /nfs/dbraw/zinc/06/35/67/1068063567.db2.gz TWKZVBIWWUIUIA-JOCHJYFZSA-N 2 1 471.694 3.343 20 0 JGADMP C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305018562 1068063580 /nfs/dbraw/zinc/06/35/80/1068063580.db2.gz TWKZVBIWWUIUIA-JOCHJYFZSA-N 2 1 471.694 3.343 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305024394 1068077963 /nfs/dbraw/zinc/07/79/63/1068077963.db2.gz YVUCPELJTZGXRK-IFMALSPDSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305024394 1068077980 /nfs/dbraw/zinc/07/79/80/1068077980.db2.gz YVUCPELJTZGXRK-IFMALSPDSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305024394 1068077993 /nfs/dbraw/zinc/07/79/93/1068077993.db2.gz YVUCPELJTZGXRK-IFMALSPDSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001305024397 1068078168 /nfs/dbraw/zinc/07/81/68/1068078168.db2.gz YVUCPELJTZGXRK-UNMCSNQZSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001305024397 1068078183 /nfs/dbraw/zinc/07/81/83/1068078183.db2.gz YVUCPELJTZGXRK-UNMCSNQZSA-N 2 1 473.710 3.296 20 0 JGADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001305024397 1068078198 /nfs/dbraw/zinc/07/81/98/1068078198.db2.gz YVUCPELJTZGXRK-UNMCSNQZSA-N 2 1 473.710 3.296 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC001305026930 1068083420 /nfs/dbraw/zinc/08/34/20/1068083420.db2.gz SCWSMLGNLCMERM-FGZHOGPDSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305026930 1068083436 /nfs/dbraw/zinc/08/34/36/1068083436.db2.gz SCWSMLGNLCMERM-FGZHOGPDSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001305026930 1068083451 /nfs/dbraw/zinc/08/34/51/1068083451.db2.gz SCWSMLGNLCMERM-FGZHOGPDSA-N 2 1 470.710 3.433 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001305040908 1068095395 /nfs/dbraw/zinc/09/53/95/1068095395.db2.gz AUVMYRBBTUXGKX-OAQYLSRUSA-N 2 1 487.718 3.312 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001305040908 1068095410 /nfs/dbraw/zinc/09/54/10/1068095410.db2.gz AUVMYRBBTUXGKX-OAQYLSRUSA-N 2 1 487.718 3.312 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001303571457 1068096168 /nfs/dbraw/zinc/09/61/68/1068096168.db2.gz KYCJIKPKVLJWGK-HSZRJFAPSA-N 2 1 462.683 3.331 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001303571457 1068096182 /nfs/dbraw/zinc/09/61/82/1068096182.db2.gz KYCJIKPKVLJWGK-HSZRJFAPSA-N 2 1 462.683 3.331 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303572213 1068096929 /nfs/dbraw/zinc/09/69/29/1068096929.db2.gz YXNURPSQMFGTIR-UHFFFAOYSA-N 2 1 473.065 3.331 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303572213 1068096939 /nfs/dbraw/zinc/09/69/39/1068096939.db2.gz YXNURPSQMFGTIR-UHFFFAOYSA-N 2 1 473.065 3.331 20 0 JGADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001305047433 1068105860 /nfs/dbraw/zinc/10/58/60/1068105860.db2.gz GQBPDGXCBIWBPO-JOCHJYFZSA-N 2 1 459.727 3.302 20 0 JGADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001305047434 1068105973 /nfs/dbraw/zinc/10/59/73/1068105973.db2.gz GQBPDGXCBIWBPO-QFIPXVFZSA-N 2 1 459.727 3.302 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001305053627 1068117466 /nfs/dbraw/zinc/11/74/66/1068117466.db2.gz ZDVOTTAAKJLSJT-OAQYLSRUSA-N 2 1 488.702 3.001 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001305053627 1068117470 /nfs/dbraw/zinc/11/74/70/1068117470.db2.gz ZDVOTTAAKJLSJT-OAQYLSRUSA-N 2 1 488.702 3.001 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001305053627 1068117474 /nfs/dbraw/zinc/11/74/74/1068117474.db2.gz ZDVOTTAAKJLSJT-OAQYLSRUSA-N 2 1 488.702 3.001 20 0 JGADMP C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305058375 1068121212 /nfs/dbraw/zinc/12/12/12/1068121212.db2.gz HCNXNHODBPNVAR-NRFANRHFSA-N 2 1 472.653 3.287 20 0 JGADMP C[C@H]1CCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001305058375 1068121216 /nfs/dbraw/zinc/12/12/16/1068121216.db2.gz HCNXNHODBPNVAR-NRFANRHFSA-N 2 1 472.653 3.287 20 0 JGADMP C[C@@H]1CCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001305061010 1068125785 /nfs/dbraw/zinc/12/57/85/1068125785.db2.gz XLMRGPGZOFAHHV-FYYLOGMGSA-N 2 1 454.663 3.207 20 0 JGADMP C[C@@H]1CCC[N@H+]1CCn1c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)nnc1C(C)(C)C ZINC001305061488 1068126989 /nfs/dbraw/zinc/12/69/89/1068126989.db2.gz HNOHNRSMGHZIFJ-JOCHJYFZSA-N 2 1 453.679 3.318 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001305110084 1068180767 /nfs/dbraw/zinc/18/07/67/1068180767.db2.gz VWJCOUJZGQIINJ-JOCHJYFZSA-N 2 1 454.667 3.414 20 0 JGADMP 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 1068189370 /nfs/dbraw/zinc/18/93/70/1068189370.db2.gz SKCQDSAPRDQWEX-BDTNDASRSA-N 2 1 476.710 3.371 20 0 JGADMP 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 ZINC001305113261 1068189377 /nfs/dbraw/zinc/18/93/77/1068189377.db2.gz SKCQDSAPRDQWEX-BDTNDASRSA-N 2 1 476.710 3.371 20 0 JGADMP 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 ZINC001305113261 1068189385 /nfs/dbraw/zinc/18/93/85/1068189385.db2.gz SKCQDSAPRDQWEX-BDTNDASRSA-N 2 1 476.710 3.371 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001305127272 1068213582 /nfs/dbraw/zinc/21/35/82/1068213582.db2.gz KWTVBIPDPHPOLT-GMAHTHKFSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001305127272 1068213591 /nfs/dbraw/zinc/21/35/91/1068213591.db2.gz KWTVBIPDPHPOLT-GMAHTHKFSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001303691983 1068232653 /nfs/dbraw/zinc/23/26/53/1068232653.db2.gz NGSQANRYRBPWTN-MRXNPFEDSA-N 2 1 490.425 3.447 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001303694676 1068237215 /nfs/dbraw/zinc/23/72/15/1068237215.db2.gz PVVCNTVLBBGRNQ-YESZJQIVSA-N 2 1 453.006 3.233 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001303694676 1068237222 /nfs/dbraw/zinc/23/72/22/1068237222.db2.gz PVVCNTVLBBGRNQ-YESZJQIVSA-N 2 1 453.006 3.233 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001303694679 1068237314 /nfs/dbraw/zinc/23/73/14/1068237314.db2.gz PVVCNTVLBBGRNQ-ZACQAIPSSA-N 2 1 453.006 3.233 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001303694679 1068237324 /nfs/dbraw/zinc/23/73/24/1068237324.db2.gz PVVCNTVLBBGRNQ-ZACQAIPSSA-N 2 1 453.006 3.233 20 0 JGADMP C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC001303700051 1068242728 /nfs/dbraw/zinc/24/27/28/1068242728.db2.gz AIXDISSGJBPQCK-LJQANCHMSA-N 2 1 458.626 3.362 20 0 JGADMP C[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC001303700051 1068242735 /nfs/dbraw/zinc/24/27/35/1068242735.db2.gz AIXDISSGJBPQCK-LJQANCHMSA-N 2 1 458.626 3.362 20 0 JGADMP C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303706569 1068251277 /nfs/dbraw/zinc/25/12/77/1068251277.db2.gz BCURIEYPSFMJEX-LJQANCHMSA-N 2 1 467.618 3.097 20 0 JGADMP C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC001303706569 1068251283 /nfs/dbraw/zinc/25/12/83/1068251283.db2.gz BCURIEYPSFMJEX-LJQANCHMSA-N 2 1 467.618 3.097 20 0 JGADMP CC(C)N1CC[NH+](C2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3C[C@H](C)[NH+](C)C)CC2)CC1 ZINC001303743244 1068302318 /nfs/dbraw/zinc/30/23/18/1068302318.db2.gz MSXMQUSQPVWMAX-QPTUXGOLSA-N 2 1 489.753 3.142 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001303756227 1068319944 /nfs/dbraw/zinc/31/99/44/1068319944.db2.gz RJGKEIZQWNTISX-LJQANCHMSA-N 2 1 476.069 3.272 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305213265 1068345113 /nfs/dbraw/zinc/34/51/13/1068345113.db2.gz NKQLCCHSEVXCHX-NZQKXSOJSA-N 2 1 491.080 3.398 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001305213265 1068345130 /nfs/dbraw/zinc/34/51/30/1068345130.db2.gz NKQLCCHSEVXCHX-NZQKXSOJSA-N 2 1 491.080 3.398 20 0 JGADMP C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903506 1068547417 /nfs/dbraw/zinc/54/74/17/1068547417.db2.gz RQHBAOVSEORKOP-OFNKIYASSA-N 2 1 488.652 3.446 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305413045 1068651936 /nfs/dbraw/zinc/65/19/36/1068651936.db2.gz JMJRGYJJOQNTMT-IMSXRSKXSA-N 2 1 454.663 3.449 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413045 1068651940 /nfs/dbraw/zinc/65/19/40/1068651940.db2.gz JMJRGYJJOQNTMT-IMSXRSKXSA-N 2 1 454.663 3.449 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305413044 1068652077 /nfs/dbraw/zinc/65/20/77/1068652077.db2.gz JMJRGYJJOQNTMT-HFMPRLQTSA-N 2 1 454.663 3.449 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413044 1068652080 /nfs/dbraw/zinc/65/20/80/1068652080.db2.gz JMJRGYJJOQNTMT-HFMPRLQTSA-N 2 1 454.663 3.449 20 0 JGADMP 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 1068681048 /nfs/dbraw/zinc/68/10/48/1068681048.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001305447189 1068681051 /nfs/dbraw/zinc/68/10/51/1068681051.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001305447189 1068681055 /nfs/dbraw/zinc/68/10/55/1068681055.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305447189 1068681058 /nfs/dbraw/zinc/68/10/58/1068681058.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305447189 1068681061 /nfs/dbraw/zinc/68/10/61/1068681061.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001305447189 1068681064 /nfs/dbraw/zinc/68/10/64/1068681064.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001305447189 1068681066 /nfs/dbraw/zinc/68/10/66/1068681066.db2.gz YWCGESFFTIJKHQ-ZLNRFVROSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305456486 1068695766 /nfs/dbraw/zinc/69/57/66/1068695766.db2.gz FOEDTSQAHKAXQV-QTJGBDASSA-N 2 1 453.679 3.311 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305503556 1068738458 /nfs/dbraw/zinc/73/84/58/1068738458.db2.gz DHAQKUYRKYARDS-QFIPXVFZSA-N 2 1 481.689 3.036 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001305503556 1068738463 /nfs/dbraw/zinc/73/84/63/1068738463.db2.gz DHAQKUYRKYARDS-QFIPXVFZSA-N 2 1 481.689 3.036 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001305512495 1068755623 /nfs/dbraw/zinc/75/56/23/1068755623.db2.gz XVOUTTIGSLHOBV-XZOQPEGZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001305512495 1068755628 /nfs/dbraw/zinc/75/56/28/1068755628.db2.gz XVOUTTIGSLHOBV-XZOQPEGZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@H]1CC ZINC001305512495 1068755633 /nfs/dbraw/zinc/75/56/33/1068755633.db2.gz XVOUTTIGSLHOBV-XZOQPEGZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@H]1CC ZINC001305512495 1068755640 /nfs/dbraw/zinc/75/56/40/1068755640.db2.gz XVOUTTIGSLHOBV-XZOQPEGZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCn1cc[nH+]c1C ZINC001305531381 1068787829 /nfs/dbraw/zinc/78/78/29/1068787829.db2.gz UQLXOTWWJVXVRB-NRFANRHFSA-N 2 1 456.683 3.382 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305539239 1068806765 /nfs/dbraw/zinc/80/67/65/1068806765.db2.gz DFCSPQBYPJDYTG-QPPBQGQZSA-N 2 1 454.663 3.269 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305540806 1068810329 /nfs/dbraw/zinc/81/03/29/1068810329.db2.gz LMXAPVCBSNWGLM-ZDXQCDESSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001305540806 1068810353 /nfs/dbraw/zinc/81/03/53/1068810353.db2.gz LMXAPVCBSNWGLM-ZDXQCDESSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001305540806 1068810376 /nfs/dbraw/zinc/81/03/76/1068810376.db2.gz LMXAPVCBSNWGLM-ZDXQCDESSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544259 1068819723 /nfs/dbraw/zinc/81/97/23/1068819723.db2.gz GMQUANTYWLMGES-VXKWHMMOSA-N 2 1 476.710 3.372 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305544333 1068820505 /nfs/dbraw/zinc/82/05/05/1068820505.db2.gz OWMIXMIEMRCHJB-IFMALSPDSA-N 2 1 458.626 3.221 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546020 1068824647 /nfs/dbraw/zinc/82/46/47/1068824647.db2.gz QEPWAFZSTMUSPV-GOTSBHOMSA-N 2 1 476.710 3.231 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305602161 1068864697 /nfs/dbraw/zinc/86/46/97/1068864697.db2.gz APLHQJYLJYPWNX-LEWJYISDSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001305602161 1068864712 /nfs/dbraw/zinc/86/47/12/1068864712.db2.gz APLHQJYLJYPWNX-LEWJYISDSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305602161 1068864730 /nfs/dbraw/zinc/86/47/30/1068864730.db2.gz APLHQJYLJYPWNX-LEWJYISDSA-N 2 1 455.651 3.408 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001305603252 1068867301 /nfs/dbraw/zinc/86/73/01/1068867301.db2.gz AHAAPWBDVHOKFI-QUCCMNQESA-N 2 1 462.042 3.025 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001305609565 1068882546 /nfs/dbraw/zinc/88/25/46/1068882546.db2.gz WBWIXUSYZCFOMP-LJQANCHMSA-N 2 1 476.069 3.272 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305617440 1068898191 /nfs/dbraw/zinc/89/81/91/1068898191.db2.gz HNOGDVOHMKVCGO-RBBKRZOGSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305617440 1068898202 /nfs/dbraw/zinc/89/82/02/1068898202.db2.gz HNOGDVOHMKVCGO-RBBKRZOGSA-N 2 1 458.626 3.039 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305620508 1068905346 /nfs/dbraw/zinc/90/53/46/1068905346.db2.gz WOOUMDIMRSZPKI-QNWVGRARSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001305620508 1068905359 /nfs/dbraw/zinc/90/53/59/1068905359.db2.gz WOOUMDIMRSZPKI-QNWVGRARSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nnc1C(C)(C)C ZINC001305624153 1068916574 /nfs/dbraw/zinc/91/65/74/1068916574.db2.gz ZQWJKFRJEZMNFO-NRFANRHFSA-N 2 1 475.726 3.077 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nnc1C(C)(C)C ZINC001305624153 1068916588 /nfs/dbraw/zinc/91/65/88/1068916588.db2.gz ZQWJKFRJEZMNFO-NRFANRHFSA-N 2 1 475.726 3.077 20 0 JGADMP CC[C@@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001305667252 1069010798 /nfs/dbraw/zinc/01/07/98/1069010798.db2.gz WTMKYYXEHOYLNC-ZEQKJWHPSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667252 1069010804 /nfs/dbraw/zinc/01/08/04/1069010804.db2.gz WTMKYYXEHOYLNC-ZEQKJWHPSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001305670579 1069016948 /nfs/dbraw/zinc/01/69/48/1069016948.db2.gz LHMQMNJWAHGJKL-NVQXNPDNSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670579 1069016962 /nfs/dbraw/zinc/01/69/62/1069016962.db2.gz LHMQMNJWAHGJKL-NVQXNPDNSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670579 1069016972 /nfs/dbraw/zinc/01/69/72/1069016972.db2.gz LHMQMNJWAHGJKL-NVQXNPDNSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001305678323 1069034936 /nfs/dbraw/zinc/03/49/36/1069034936.db2.gz RURYHNZSSKBSLZ-ZJSXRUAMSA-N 2 1 454.663 3.197 20 0 JGADMP CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001305710903 1069108881 /nfs/dbraw/zinc/10/88/81/1069108881.db2.gz XQPGCLYEYYJPGJ-RPBOFIJWSA-N 2 1 495.716 3.363 20 0 JGADMP CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305713332 1069115388 /nfs/dbraw/zinc/11/53/88/1069115388.db2.gz GRYPYJUCTDMNSU-UPVQGACJSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305713332 1069115391 /nfs/dbraw/zinc/11/53/91/1069115391.db2.gz GRYPYJUCTDMNSU-UPVQGACJSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305713331 1069115426 /nfs/dbraw/zinc/11/54/26/1069115426.db2.gz GRYPYJUCTDMNSU-LADGPHEKSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305713331 1069115431 /nfs/dbraw/zinc/11/54/31/1069115431.db2.gz GRYPYJUCTDMNSU-LADGPHEKSA-N 2 1 470.662 3.053 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714233 1069117177 /nfs/dbraw/zinc/11/71/77/1069117177.db2.gz ZWPNSGHSPHVCAF-VXKWHMMOSA-N 2 1 459.683 3.050 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]32)n1C[C@H](C)[NH+](C)C ZINC001305765079 1069235124 /nfs/dbraw/zinc/23/51/24/1069235124.db2.gz SBPVXGNVHDMKKX-OWHZGTRUSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)n1C[C@H](C)[NH+](C)C ZINC001305765079 1069235138 /nfs/dbraw/zinc/23/51/38/1069235138.db2.gz SBPVXGNVHDMKKX-OWHZGTRUSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]32)n1C[C@H](C)[NH+](C)C ZINC001305765083 1069235322 /nfs/dbraw/zinc/23/53/22/1069235322.db2.gz SBPVXGNVHDMKKX-QYXIYQDXSA-N 2 1 467.662 3.205 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]32)n1C[C@H](C)[NH+](C)C ZINC001305765083 1069235337 /nfs/dbraw/zinc/23/53/37/1069235337.db2.gz SBPVXGNVHDMKKX-QYXIYQDXSA-N 2 1 467.662 3.205 20 0 JGADMP 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 1069251738 /nfs/dbraw/zinc/25/17/38/1069251738.db2.gz JZCOMDFXLVIAKU-NHCUHLMSSA-N 2 1 491.725 3.006 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[N@H+]1CC ZINC001305787942 1069295538 /nfs/dbraw/zinc/29/55/38/1069295538.db2.gz QJXTZEJWZFPLIW-XUZZJYLKSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[NH+]1CC ZINC001305787942 1069295546 /nfs/dbraw/zinc/29/55/46/1069295546.db2.gz QJXTZEJWZFPLIW-XUZZJYLKSA-N 2 1 481.689 3.392 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCC[NH+]1CC ZINC001305787942 1069295554 /nfs/dbraw/zinc/29/55/54/1069295554.db2.gz QJXTZEJWZFPLIW-XUZZJYLKSA-N 2 1 481.689 3.392 20 0 JGADMP OC[C@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402606 718853776 /nfs/dbraw/zinc/85/37/76/718853776.db2.gz GNWAXBZLHGMTKY-QMHKHESXSA-N 2 1 455.653 3.424 20 0 JGADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4Cc5ncnn5C5(CC[NH2+]CC5)C4)c23)C1 ZINC001164416129 718885530 /nfs/dbraw/zinc/88/55/30/718885530.db2.gz SFKBHIDISHWMBN-KRWDZBQOSA-N 2 1 478.670 3.102 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690379 719760434 /nfs/dbraw/zinc/76/04/34/719760434.db2.gz BBKPKBBFRVTXNI-RXFWQSSRSA-N 2 1 460.557 3.228 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690379 719760444 /nfs/dbraw/zinc/76/04/44/719760444.db2.gz BBKPKBBFRVTXNI-RXFWQSSRSA-N 2 1 460.557 3.228 20 0 JGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164713860 720156210 /nfs/dbraw/zinc/15/62/10/720156210.db2.gz MCGSUWCNFKLFMX-XMMPIXPASA-N 2 1 465.642 3.363 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164729290 720416732 /nfs/dbraw/zinc/41/67/32/720416732.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[NH+]3Cc2cccnc2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164729290 720416734 /nfs/dbraw/zinc/41/67/34/720416734.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[NH+]3Cc2cccnc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164729290 720416736 /nfs/dbraw/zinc/41/67/36/720416736.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 2 1 492.668 3.129 20 0 JGADMP C[C@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]CC2 ZINC001164850655 720805787 /nfs/dbraw/zinc/80/57/87/720805787.db2.gz VQUHNZSPXHVTRB-IBGZPJMESA-N 2 1 456.594 3.096 20 0 JGADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739766 720825185 /nfs/dbraw/zinc/82/51/85/720825185.db2.gz IKJZAPIYOVXLOC-CLCZQPDDSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164739766 720825188 /nfs/dbraw/zinc/82/51/88/720825188.db2.gz IKJZAPIYOVXLOC-CLCZQPDDSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739766 720825189 /nfs/dbraw/zinc/82/51/89/720825189.db2.gz IKJZAPIYOVXLOC-CLCZQPDDSA-N 2 1 484.652 3.006 20 0 JGADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164739766 720825190 /nfs/dbraw/zinc/82/51/90/720825190.db2.gz IKJZAPIYOVXLOC-CLCZQPDDSA-N 2 1 484.652 3.006 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739996 720833498 /nfs/dbraw/zinc/83/34/98/720833498.db2.gz BKUVDGBRTSXGJC-FDFHNCONSA-N 2 1 456.038 3.302 20 0 JGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164739996 720833500 /nfs/dbraw/zinc/83/35/00/720833500.db2.gz BKUVDGBRTSXGJC-FDFHNCONSA-N 2 1 456.038 3.302 20 0 JGADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164859119 720875745 /nfs/dbraw/zinc/87/57/45/720875745.db2.gz LQFGNLINYBLDIR-RTWAWAEBSA-N 2 1 473.687 3.468 20 0 JGADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164859119 720875748 /nfs/dbraw/zinc/87/57/48/720875748.db2.gz LQFGNLINYBLDIR-RTWAWAEBSA-N 2 1 473.687 3.468 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757903 720893468 /nfs/dbraw/zinc/89/34/68/720893468.db2.gz WHRZWWAURURJCK-HOFKKMOUSA-N 2 1 476.625 3.228 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757903 720893470 /nfs/dbraw/zinc/89/34/70/720893470.db2.gz WHRZWWAURURJCK-HOFKKMOUSA-N 2 1 476.625 3.228 20 0 JGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc(C4CC[NH2+]CC4)n2)C3)c1 ZINC001164751780 720899146 /nfs/dbraw/zinc/89/91/46/720899146.db2.gz DOZKLDYMQJQATC-RPLLCQBOSA-N 2 1 462.642 3.094 20 0 JGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746452 720926819 /nfs/dbraw/zinc/92/68/19/720926819.db2.gz AFLBPZNSNRSUMW-LBNVMWSVSA-N 2 1 492.668 3.005 20 0 JGADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164746454 720927634 /nfs/dbraw/zinc/92/76/34/720927634.db2.gz AFLBPZNSNRSUMW-LSYYVWMOSA-N 2 1 492.668 3.005 20 0 JGADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH+]cc21 ZINC001164791646 721465100 /nfs/dbraw/zinc/46/51/00/721465100.db2.gz XEAJCQAHOOSMPW-HXUWFJFHSA-N 2 1 470.614 3.474 20 0 JGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164788006 721471265 /nfs/dbraw/zinc/47/12/65/721471265.db2.gz HPDKSDXJEHBAHB-HSZRJFAPSA-N 3 1 472.674 3.289 20 0 JGADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164788006 721471268 /nfs/dbraw/zinc/47/12/68/721471268.db2.gz HPDKSDXJEHBAHB-HSZRJFAPSA-N 2 1 472.674 3.289 20 0 JGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164788006 721471273 /nfs/dbraw/zinc/47/12/73/721471273.db2.gz HPDKSDXJEHBAHB-HSZRJFAPSA-N 2 1 472.674 3.289 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960596 722025447 /nfs/dbraw/zinc/02/54/47/722025447.db2.gz LEFSJWAGWASMPG-CUNXSJBXSA-N 2 1 471.609 3.183 20 0 JGADMP Cc1ccc(N(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960596 722025448 /nfs/dbraw/zinc/02/54/48/722025448.db2.gz LEFSJWAGWASMPG-CUNXSJBXSA-N 2 1 471.609 3.183 20 0 JGADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@H]4C[NH+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112333 /nfs/dbraw/zinc/11/23/33/722112333.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@H]4C[NH+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112336 /nfs/dbraw/zinc/11/23/36/722112336.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112341 /nfs/dbraw/zinc/11/23/41/722112341.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 2 1 470.621 3.157 20 0 JGADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112343 /nfs/dbraw/zinc/11/23/43/722112343.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 2 1 470.621 3.157 20 0 JGADMP CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)[NH+]1CCCC1 ZINC001305805956 1069333314 /nfs/dbraw/zinc/33/33/14/1069333314.db2.gz ZRVHKMDWJPEORQ-ISKFKSNPSA-N 2 1 497.688 3.179 20 0 JGADMP CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)[NH+]1CCCC1 ZINC001305805956 1069333332 /nfs/dbraw/zinc/33/33/32/1069333332.db2.gz ZRVHKMDWJPEORQ-ISKFKSNPSA-N 2 1 497.688 3.179 20 0 JGADMP CC[C@@H](Cn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850768 1069403621 /nfs/dbraw/zinc/40/36/21/1069403621.db2.gz RYJGUMYWTJAZIX-GOTSBHOMSA-N 2 1 484.689 3.012 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC[NH+]1CCCC1 ZINC001298236571 1064142185 /nfs/dbraw/zinc/14/21/85/1064142185.db2.gz XFSCRVQKQMSYGC-UHFFFAOYSA-N 2 1 461.054 3.489 20 0 JGADMP C[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001298706224 1064511330 /nfs/dbraw/zinc/51/13/30/1064511330.db2.gz QXCWAENTQUNRBQ-NRFANRHFSA-N 2 1 459.683 3.052 20 0 JGADMP C[N@@H+](CCN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC001298727878 1064538142 /nfs/dbraw/zinc/53/81/42/1064538142.db2.gz ISAYEIZTLHWNTB-UHFFFAOYSA-N 2 1 467.706 3.316 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298728551 1064541830 /nfs/dbraw/zinc/54/18/30/1064541830.db2.gz WMRYKYPJTHCHIL-OAQYLSRUSA-N 2 1 461.054 3.486 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1C[C@H](C1CC1)[NH+](C)C ZINC001298728551 1064541844 /nfs/dbraw/zinc/54/18/44/1064541844.db2.gz WMRYKYPJTHCHIL-OAQYLSRUSA-N 2 1 461.054 3.486 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298732564 1064547185 /nfs/dbraw/zinc/54/71/85/1064547185.db2.gz AHJAHRKLANEOHW-FGZHOGPDSA-N 2 1 462.683 3.187 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCO2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298732564 1064547199 /nfs/dbraw/zinc/54/71/99/1064547199.db2.gz AHJAHRKLANEOHW-FGZHOGPDSA-N 2 1 462.683 3.187 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001299899109 1065134554 /nfs/dbraw/zinc/13/45/54/1065134554.db2.gz YCSMYHSICBBDPK-OAQYLSRUSA-N 2 1 491.080 3.494 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001299899109 1065134556 /nfs/dbraw/zinc/13/45/56/1065134556.db2.gz YCSMYHSICBBDPK-OAQYLSRUSA-N 2 1 491.080 3.494 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C ZINC001299901669 1065138551 /nfs/dbraw/zinc/13/85/51/1065138551.db2.gz MIACNWNQWHKKJM-XMMPIXPASA-N 2 1 477.053 3.248 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001299901669 1065138557 /nfs/dbraw/zinc/13/85/57/1065138557.db2.gz MIACNWNQWHKKJM-XMMPIXPASA-N 2 1 477.053 3.248 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C ZINC001299901668 1065138584 /nfs/dbraw/zinc/13/85/84/1065138584.db2.gz MIACNWNQWHKKJM-DEOSSOPVSA-N 2 1 477.053 3.248 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C ZINC001299901668 1065138592 /nfs/dbraw/zinc/13/85/92/1065138592.db2.gz MIACNWNQWHKKJM-DEOSSOPVSA-N 2 1 477.053 3.248 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001299908383 1065151946 /nfs/dbraw/zinc/15/19/46/1065151946.db2.gz TVXNEVHEBSALCJ-GOSISDBHSA-N 2 1 477.053 3.248 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001299908383 1065151951 /nfs/dbraw/zinc/15/19/51/1065151951.db2.gz TVXNEVHEBSALCJ-GOSISDBHSA-N 2 1 477.053 3.248 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299991496 1065296903 /nfs/dbraw/zinc/29/69/03/1065296903.db2.gz XARXKCPYAPMLFI-QHCPKHFHSA-N 2 1 484.689 3.062 20 0 JGADMP COc1ccc(C)cc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001299991496 1065296918 /nfs/dbraw/zinc/29/69/18/1065296918.db2.gz XARXKCPYAPMLFI-QHCPKHFHSA-N 2 1 484.689 3.062 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001492241623 1065340507 /nfs/dbraw/zinc/34/05/07/1065340507.db2.gz YZCCZEDKAKGNTQ-HSZRJFAPSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001492267200 1065362997 /nfs/dbraw/zinc/36/29/97/1065362997.db2.gz PQSMFDRGYKJSGG-WIYYLYMNSA-N 2 1 467.662 3.408 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352892 1065414852 /nfs/dbraw/zinc/41/48/52/1065414852.db2.gz RGXPHBNJALRTDD-HOFKKMOUSA-N 2 1 484.689 3.443 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492360405 1065422208 /nfs/dbraw/zinc/42/22/08/1065422208.db2.gz STIUXCBJUPRSMO-RUZDIDTESA-N 2 1 484.689 3.489 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001492391137 1065434437 /nfs/dbraw/zinc/43/44/37/1065434437.db2.gz NIQTYQOLXIKPTE-TZRRMPRUSA-N 2 1 483.705 3.110 20 0 JGADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001301016129 1065850345 /nfs/dbraw/zinc/85/03/45/1065850345.db2.gz HXZDOWYNXCDZDR-VXNXHJTFSA-N 2 1 469.029 3.012 20 0 JGADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001301016129 1065850352 /nfs/dbraw/zinc/85/03/52/1065850352.db2.gz HXZDOWYNXCDZDR-VXNXHJTFSA-N 2 1 469.029 3.012 20 0 JGADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001301016129 1065850364 /nfs/dbraw/zinc/85/03/64/1065850364.db2.gz HXZDOWYNXCDZDR-VXNXHJTFSA-N 2 1 469.029 3.012 20 0 JGADMP 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 1066335879 /nfs/dbraw/zinc/33/58/79/1066335879.db2.gz TZDOHPZXPALOJT-JFSTXAPLSA-N 2 1 474.625 3.117 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001302054162 1066446614 /nfs/dbraw/zinc/44/66/14/1066446614.db2.gz LDLPEQAUVFTNAO-ODAXIHTASA-N 2 1 462.683 3.187 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302057309 1066454228 /nfs/dbraw/zinc/45/42/28/1066454228.db2.gz YAJXNDODZLLBNB-VJBWXMMDSA-N 2 1 462.683 3.187 20 0 JGADMP CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001302079088 1066493399 /nfs/dbraw/zinc/49/33/99/1066493399.db2.gz GVYRHWWZOKTXII-UHFFFAOYSA-N 2 1 454.663 3.135 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001302080413 1066496585 /nfs/dbraw/zinc/49/65/85/1066496585.db2.gz PDJYQYGDQYSXOB-LEWJYISDSA-N 2 1 450.672 3.043 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001301706967 1066597068 /nfs/dbraw/zinc/59/70/68/1066597068.db2.gz AAUVPHPPWYSVPM-DHLKQENFSA-N 2 1 473.710 3.012 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301707689 1066598082 /nfs/dbraw/zinc/59/80/82/1066598082.db2.gz FBESJJZVEFQDAC-ZJSXRUAMSA-N 2 1 473.710 3.043 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CC4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001301707686 1066598541 /nfs/dbraw/zinc/59/85/41/1066598541.db2.gz FBESJJZVEFQDAC-QPPBQGQZSA-N 2 1 473.710 3.043 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001301731016 1066649872 /nfs/dbraw/zinc/64/98/72/1066649872.db2.gz IWDBYMYSCNTNAE-GOTSBHOMSA-N 2 1 462.683 3.190 20 0 JGADMP CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001302200569 1066694232 /nfs/dbraw/zinc/69/42/32/1066694232.db2.gz OTHHXVILDVOIBO-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001302200569 1066694238 /nfs/dbraw/zinc/69/42/38/1066694238.db2.gz OTHHXVILDVOIBO-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)(C)[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001302200569 1066694243 /nfs/dbraw/zinc/69/42/43/1066694243.db2.gz OTHHXVILDVOIBO-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP CC(C)(C)[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001302200569 1066694248 /nfs/dbraw/zinc/69/42/48/1066694248.db2.gz OTHHXVILDVOIBO-UHFFFAOYSA-N 2 1 472.653 3.429 20 0 JGADMP COCCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301874095 1066874240 /nfs/dbraw/zinc/87/42/40/1066874240.db2.gz DPZDQBSERWJZPF-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301874095 1066874244 /nfs/dbraw/zinc/87/42/44/1066874244.db2.gz DPZDQBSERWJZPF-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001301874095 1066874250 /nfs/dbraw/zinc/87/42/50/1066874250.db2.gz DPZDQBSERWJZPF-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001301874374 1066874765 /nfs/dbraw/zinc/87/47/65/1066874765.db2.gz HULPRYDOIHLMCL-URXFXBBRSA-N 2 1 470.662 3.404 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001301897407 1066921488 /nfs/dbraw/zinc/92/14/88/1066921488.db2.gz VYUSRMSOGOUOJK-OAQYLSRUSA-N 2 1 458.626 3.363 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941288 /nfs/dbraw/zinc/94/12/88/1066941288.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941289 /nfs/dbraw/zinc/94/12/89/1066941289.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941298 /nfs/dbraw/zinc/94/12/98/1066941298.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 2 1 498.716 3.315 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001301915031 1066944523 /nfs/dbraw/zinc/94/45/23/1066944523.db2.gz RSXGDCMVPRCAHF-ZLNRFVROSA-N 2 1 462.683 3.046 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001301918770 1066949948 /nfs/dbraw/zinc/94/99/48/1066949948.db2.gz COFSZEDUYIPWPX-HSZRJFAPSA-N 2 1 454.663 3.210 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001301920894 1066953987 /nfs/dbraw/zinc/95/39/87/1066953987.db2.gz DMGDWHNIDHVGTH-HXUWFJFHSA-N 2 1 460.673 3.063 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001301927360 1066962060 /nfs/dbraw/zinc/96/20/60/1066962060.db2.gz DCMFDZUVEOLAHR-HSZRJFAPSA-N 2 1 470.662 3.198 20 0 JGADMP Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)c1C ZINC001304018595 1067062467 /nfs/dbraw/zinc/06/24/67/1067062467.db2.gz FOLCYASDMRAGCH-UNIVCBNLSA-N 2 1 470.662 3.286 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001304139892 1067180515 /nfs/dbraw/zinc/18/05/15/1067180515.db2.gz PIXOCCMJFZJHHH-SBHAEUEKSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)[NH+](C)C ZINC001304139892 1067180518 /nfs/dbraw/zinc/18/05/18/1067180518.db2.gz PIXOCCMJFZJHHH-SBHAEUEKSA-N 2 1 477.053 3.159 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001304175596 1067224736 /nfs/dbraw/zinc/22/47/36/1067224736.db2.gz VZFJCTMSAAFGHP-RUZDIDTESA-N 2 1 497.732 3.419 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001302593271 1067231640 /nfs/dbraw/zinc/23/16/40/1067231640.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001302593271 1067231645 /nfs/dbraw/zinc/23/16/45/1067231645.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001302593271 1067231652 /nfs/dbraw/zinc/23/16/52/1067231652.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 2 1 484.689 3.240 20 0 JGADMP CC(C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001302593271 1067231656 /nfs/dbraw/zinc/23/16/56/1067231656.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 2 1 484.689 3.240 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CCC3(C)C)CC2)CC1 ZINC001302656052 1067284240 /nfs/dbraw/zinc/28/42/40/1067284240.db2.gz AVBGVHRGLGOKSU-UHFFFAOYSA-N 2 1 450.668 3.431 20 0 JGADMP CC(C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302664386 1067291449 /nfs/dbraw/zinc/29/14/49/1067291449.db2.gz IZBCYUPMUBTDRM-HSZRJFAPSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001302664386 1067291461 /nfs/dbraw/zinc/29/14/61/1067291461.db2.gz IZBCYUPMUBTDRM-HSZRJFAPSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001302664386 1067291473 /nfs/dbraw/zinc/29/14/73/1067291473.db2.gz IZBCYUPMUBTDRM-HSZRJFAPSA-N 2 1 481.689 3.057 20 0 JGADMP CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001302664386 1067291485 /nfs/dbraw/zinc/29/14/85/1067291485.db2.gz IZBCYUPMUBTDRM-HSZRJFAPSA-N 2 1 481.689 3.057 20 0 JGADMP Cc1ccc(C)c(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)c1 ZINC001304289802 1067335953 /nfs/dbraw/zinc/33/59/53/1067335953.db2.gz YKBULLDNNBQLIT-UHFFFAOYSA-N 2 1 484.689 3.241 20 0 JGADMP Cc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001304308665 1067355950 /nfs/dbraw/zinc/35/59/50/1067355950.db2.gz QNDQFLMAYSCHCS-WAOWUJCRSA-N 2 1 491.478 3.123 20 0 JGADMP Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)o1 ZINC001304324710 1067373099 /nfs/dbraw/zinc/37/30/99/1067373099.db2.gz QWHNHAWPKVBGBG-GOSISDBHSA-N 2 1 484.567 3.422 20 0 JGADMP CC(C)C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC001302822875 1067411860 /nfs/dbraw/zinc/41/18/60/1067411860.db2.gz PFXHHMDOROJMLR-FJIJXJHWSA-N 2 1 488.652 3.129 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001304376528 1067418000 /nfs/dbraw/zinc/41/80/00/1067418000.db2.gz ZMSQEVGZAUUOQR-OFNKIYASSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304411001 1067478149 /nfs/dbraw/zinc/47/81/49/1067478149.db2.gz NLZPFMXRZAZDQE-RUZDIDTESA-N 2 1 484.689 3.489 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](C4CCOCC4)C[C@H]3C)n2CC[N@H+](C)C(C)C)cc1 ZINC001304417861 1067490703 /nfs/dbraw/zinc/49/07/03/1067490703.db2.gz FSSDEENPHKBXEH-JOCHJYFZSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CC[NH+](C)C(C)C)cc1 ZINC001304417861 1067490707 /nfs/dbraw/zinc/49/07/07/1067490707.db2.gz FSSDEENPHKBXEH-JOCHJYFZSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC[NH+](C)C(C)C)cc1 ZINC001304417861 1067490713 /nfs/dbraw/zinc/49/07/13/1067490713.db2.gz FSSDEENPHKBXEH-JOCHJYFZSA-N 2 1 470.662 3.195 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC001302908868 1067493558 /nfs/dbraw/zinc/49/35/58/1067493558.db2.gz MFOCQCHVKZEYCZ-RZUBCFFCSA-N 2 1 483.686 3.174 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC001302908868 1067493562 /nfs/dbraw/zinc/49/35/62/1067493562.db2.gz MFOCQCHVKZEYCZ-RZUBCFFCSA-N 2 1 483.686 3.174 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001304419690 1067494600 /nfs/dbraw/zinc/49/46/00/1067494600.db2.gz OZCTUHRLENYULG-RUZDIDTESA-N 2 1 484.689 3.300 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001302961111 1067532094 /nfs/dbraw/zinc/53/20/94/1067532094.db2.gz INCPEWIALRHVRB-UPVQGACJSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001302961111 1067532098 /nfs/dbraw/zinc/53/20/98/1067532098.db2.gz INCPEWIALRHVRB-UPVQGACJSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001302961111 1067532103 /nfs/dbraw/zinc/53/21/03/1067532103.db2.gz INCPEWIALRHVRB-UPVQGACJSA-N 2 1 454.663 3.034 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001302964803 1067534827 /nfs/dbraw/zinc/53/48/27/1067534827.db2.gz JLSKXIVTPMUHIS-XZOQPEGZSA-N 2 1 458.626 3.220 20 0 JGADMP Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001304479861 1067559308 /nfs/dbraw/zinc/55/93/08/1067559308.db2.gz DRNVCTOTYUPLKK-UHFFFAOYSA-N 2 1 451.594 3.450 20 0 JGADMP Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001304479861 1067559313 /nfs/dbraw/zinc/55/93/13/1067559313.db2.gz DRNVCTOTYUPLKK-UHFFFAOYSA-N 2 1 451.594 3.450 20 0 JGADMP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001304497175 1067573155 /nfs/dbraw/zinc/57/31/55/1067573155.db2.gz ZPLUMKMSOKOKPG-UHFFFAOYSA-N 2 1 490.656 3.286 20 0 JGADMP Cc1cccc(OCc2nnc(N3CC[NH+](C4CCOCC4)C[C@H]3C)n2CC[N@H+](C)C(C)C)c1 ZINC001304511838 1067587809 /nfs/dbraw/zinc/58/78/09/1067587809.db2.gz IDKVXBOGLNGYFK-JOCHJYFZSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CC[NH+](C)C(C)C)c1 ZINC001304511838 1067587816 /nfs/dbraw/zinc/58/78/16/1067587816.db2.gz IDKVXBOGLNGYFK-JOCHJYFZSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC[NH+](C)C(C)C)c1 ZINC001304511838 1067587824 /nfs/dbraw/zinc/58/78/24/1067587824.db2.gz IDKVXBOGLNGYFK-JOCHJYFZSA-N 2 1 470.662 3.195 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCC[N@H+](C)C(C)C ZINC001304560715 1067630772 /nfs/dbraw/zinc/63/07/72/1067630772.db2.gz WRWJNSZBZRMEIY-DEOSSOPVSA-N 2 1 468.690 3.456 20 0 JGADMP CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001303175079 1067708539 /nfs/dbraw/zinc/70/85/39/1067708539.db2.gz HGNADKBIFWJMNA-JOCHJYFZSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001303175079 1067708546 /nfs/dbraw/zinc/70/85/46/1067708546.db2.gz HGNADKBIFWJMNA-JOCHJYFZSA-N 2 1 473.710 3.193 20 0 JGADMP CC(C)C[NH+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001303175079 1067708553 /nfs/dbraw/zinc/70/85/53/1067708553.db2.gz HGNADKBIFWJMNA-JOCHJYFZSA-N 2 1 473.710 3.193 20 0 JGADMP 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 1067719518 /nfs/dbraw/zinc/71/95/18/1067719518.db2.gz UQHYOYIVSFNPRD-PLXFJCCSSA-N 2 1 476.710 3.217 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001303198632 1067734168 /nfs/dbraw/zinc/73/41/68/1067734168.db2.gz HJZWNWZQLWGUEH-HSZRJFAPSA-N 2 1 488.652 3.131 20 0 JGADMP CC(C)C[N@H+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303208040 1067746263 /nfs/dbraw/zinc/74/62/63/1067746263.db2.gz WFFQFWTZLUDQIH-VWLOTQADSA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303208040 1067746267 /nfs/dbraw/zinc/74/62/67/1067746267.db2.gz WFFQFWTZLUDQIH-VWLOTQADSA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303208040 1067746274 /nfs/dbraw/zinc/74/62/74/1067746274.db2.gz WFFQFWTZLUDQIH-VWLOTQADSA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303257095 1067784195 /nfs/dbraw/zinc/78/41/95/1067784195.db2.gz RLYVAOSRJLVPOS-UHFFFAOYSA-N 2 1 482.721 3.170 20 0 JGADMP CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303257095 1067784202 /nfs/dbraw/zinc/78/42/02/1067784202.db2.gz RLYVAOSRJLVPOS-UHFFFAOYSA-N 2 1 482.721 3.170 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccccn3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303257095 1067784207 /nfs/dbraw/zinc/78/42/07/1067784207.db2.gz RLYVAOSRJLVPOS-UHFFFAOYSA-N 2 1 482.721 3.170 20 0 JGADMP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001303257315 1067784226 /nfs/dbraw/zinc/78/42/26/1067784226.db2.gz FSXRGSVWRVJWNK-UHFFFAOYSA-N 2 1 472.653 3.287 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001303257315 1067784228 /nfs/dbraw/zinc/78/42/28/1067784228.db2.gz FSXRGSVWRVJWNK-UHFFFAOYSA-N 2 1 472.653 3.287 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001304725313 1067797636 /nfs/dbraw/zinc/79/76/36/1067797636.db2.gz JCQSTYORJGYDLN-FQEVSTJZSA-N 2 1 456.683 3.196 20 0 JGADMP CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303269384 1067798317 /nfs/dbraw/zinc/79/83/17/1067798317.db2.gz WVNCRJLACSSKKD-KAOXLYBCSA-N 2 1 478.726 3.472 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303269384 1067798324 /nfs/dbraw/zinc/79/83/24/1067798324.db2.gz WVNCRJLACSSKKD-KAOXLYBCSA-N 2 1 478.726 3.472 20 0 JGADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303269384 1067798331 /nfs/dbraw/zinc/79/83/31/1067798331.db2.gz WVNCRJLACSSKKD-KAOXLYBCSA-N 2 1 478.726 3.472 20 0 JGADMP CC(C)[NH+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001303269384 1067798338 /nfs/dbraw/zinc/79/83/38/1067798338.db2.gz WVNCRJLACSSKKD-KAOXLYBCSA-N 2 1 478.726 3.472 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001304726081 1067798608 /nfs/dbraw/zinc/79/86/08/1067798608.db2.gz PCAWEKYQNZZXDB-UHFFFAOYSA-N 2 1 458.699 3.127 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001304726132 1067798745 /nfs/dbraw/zinc/79/87/45/1067798745.db2.gz VPXDUJOUKNQQDP-WIYYLYMNSA-N 2 1 498.651 3.180 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001303271227 1067799593 /nfs/dbraw/zinc/79/95/93/1067799593.db2.gz OVFZVMHSHPZFTP-JOCHJYFZSA-N 2 1 484.048 3.189 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303275747 1067803592 /nfs/dbraw/zinc/80/35/92/1067803592.db2.gz FURNYZPHSHHXKX-UHFFFAOYSA-N 2 1 476.616 3.036 20 0 JGADMP CC(C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303278215 1067805572 /nfs/dbraw/zinc/80/55/72/1067805572.db2.gz ZDIKKDIDPPDKIL-JOCHJYFZSA-N 2 1 461.054 3.164 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001303278215 1067805582 /nfs/dbraw/zinc/80/55/82/1067805582.db2.gz ZDIKKDIDPPDKIL-JOCHJYFZSA-N 2 1 461.054 3.164 20 0 JGADMP CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001303278542 1067806965 /nfs/dbraw/zinc/80/69/65/1067806965.db2.gz IOLUVAWMSIWRGV-GOSISDBHSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001303278542 1067806986 /nfs/dbraw/zinc/80/69/86/1067806986.db2.gz IOLUVAWMSIWRGV-GOSISDBHSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001303278542 1067807007 /nfs/dbraw/zinc/80/70/07/1067807007.db2.gz IOLUVAWMSIWRGV-GOSISDBHSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001303278542 1067807026 /nfs/dbraw/zinc/80/70/26/1067807026.db2.gz IOLUVAWMSIWRGV-GOSISDBHSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001303278543 1067807184 /nfs/dbraw/zinc/80/71/84/1067807184.db2.gz IOLUVAWMSIWRGV-SFHVURJKSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001303278543 1067807188 /nfs/dbraw/zinc/80/71/88/1067807188.db2.gz IOLUVAWMSIWRGV-SFHVURJKSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001303278543 1067807193 /nfs/dbraw/zinc/80/71/93/1067807193.db2.gz IOLUVAWMSIWRGV-SFHVURJKSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[NH+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001303278543 1067807197 /nfs/dbraw/zinc/80/71/97/1067807197.db2.gz IOLUVAWMSIWRGV-SFHVURJKSA-N 2 1 483.444 3.025 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001303278900 1067807919 /nfs/dbraw/zinc/80/79/19/1067807919.db2.gz UKJDNUATLMSELE-FQEVSTJZSA-N 2 1 463.671 3.221 20 0 JGADMP CC(C)[NH+](CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC001303291960 1067817221 /nfs/dbraw/zinc/81/72/21/1067817221.db2.gz PXVQDBGQVOIFFV-QFIPXVFZSA-N 2 1 494.750 3.144 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001303295389 1067819326 /nfs/dbraw/zinc/81/93/26/1067819326.db2.gz DHDICLLWTJRZFX-LJQANCHMSA-N 2 1 491.478 3.347 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001303295389 1067819333 /nfs/dbraw/zinc/81/93/33/1067819333.db2.gz DHDICLLWTJRZFX-LJQANCHMSA-N 2 1 491.478 3.347 20 0 JGADMP CC(C)[N@H+]1CCC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001303305187 1067832796 /nfs/dbraw/zinc/83/27/96/1067832796.db2.gz OTVHLCNFBCJIEI-FQEVSTJZSA-N 2 1 487.718 3.311 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CC=CCC2)CC1 ZINC001303305655 1067833897 /nfs/dbraw/zinc/83/38/97/1067833897.db2.gz UCNXDUKKBIAPAH-UHFFFAOYSA-N 2 1 476.467 3.229 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303305655 1067833907 /nfs/dbraw/zinc/83/39/07/1067833907.db2.gz UCNXDUKKBIAPAH-UHFFFAOYSA-N 2 1 476.467 3.229 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303305655 1067833912 /nfs/dbraw/zinc/83/39/12/1067833912.db2.gz UCNXDUKKBIAPAH-UHFFFAOYSA-N 2 1 476.467 3.229 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001303307659 1067835713 /nfs/dbraw/zinc/83/57/13/1067835713.db2.gz GRYZBKDCQHBOMN-UHFFFAOYSA-N 2 1 489.112 3.188 20 0 JGADMP CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303307659 1067835725 /nfs/dbraw/zinc/83/57/25/1067835725.db2.gz GRYZBKDCQHBOMN-UHFFFAOYSA-N 2 1 489.112 3.188 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303307659 1067835742 /nfs/dbraw/zinc/83/57/42/1067835742.db2.gz GRYZBKDCQHBOMN-UHFFFAOYSA-N 2 1 489.112 3.188 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001304755301 1067837661 /nfs/dbraw/zinc/83/76/61/1067837661.db2.gz ADTLQNFXBUTURC-DEOSSOPVSA-N 2 1 470.710 3.428 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001303310032 1067838178 /nfs/dbraw/zinc/83/81/78/1067838178.db2.gz DNTHRHKDYZDRMX-QHCPKHFHSA-N 2 1 497.471 3.151 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001303310032 1067838192 /nfs/dbraw/zinc/83/81/92/1067838192.db2.gz DNTHRHKDYZDRMX-QHCPKHFHSA-N 2 1 497.471 3.151 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001303310032 1067838198 /nfs/dbraw/zinc/83/81/98/1067838198.db2.gz DNTHRHKDYZDRMX-QHCPKHFHSA-N 2 1 497.471 3.151 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001303312084 1067841611 /nfs/dbraw/zinc/84/16/11/1067841611.db2.gz YDMQWMFRAAGDDT-OAQYLSRUSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001303317446 1067846471 /nfs/dbraw/zinc/84/64/71/1067846471.db2.gz OEWQPTIJEGWVLI-UHFFFAOYSA-N 2 1 468.694 3.004 20 0 JGADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC001303317676 1067847160 /nfs/dbraw/zinc/84/71/60/1067847160.db2.gz ABBOPEARTBWSMR-HSZRJFAPSA-N 2 1 489.753 3.071 20 0 JGADMP CC(C)N1CC[NH+](C2CCN(c3nnc(-c4cnccn4)n3CCC[NH+](C(C)C)C(C)C)CC2)CC1 ZINC001303318503 1067849660 /nfs/dbraw/zinc/84/96/60/1067849660.db2.gz SXEYTRAUOGOELY-UHFFFAOYSA-N 2 1 497.736 3.239 20 0 JGADMP Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCC[C@H]1CO ZINC001304822522 1067892656 /nfs/dbraw/zinc/89/26/56/1067892656.db2.gz PXWJXGSWFHQBBD-VWLOTQADSA-N 2 1 454.663 3.148 20 0 JGADMP Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001304822522 1067892668 /nfs/dbraw/zinc/89/26/68/1067892668.db2.gz PXWJXGSWFHQBBD-VWLOTQADSA-N 2 1 454.663 3.148 20 0 JGADMP Cc1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001304822522 1067892676 /nfs/dbraw/zinc/89/26/76/1067892676.db2.gz PXWJXGSWFHQBBD-VWLOTQADSA-N 2 1 454.663 3.148 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303366192 1067894486 /nfs/dbraw/zinc/89/44/86/1067894486.db2.gz JYUDKLQNTHYZMX-HSZRJFAPSA-N 2 1 469.678 3.276 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@H]3CC[N@H+](Cc4ccccc4)[C@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381752 1067910669 /nfs/dbraw/zinc/91/06/69/1067910669.db2.gz LKQBIIKGQNYFJT-QPPBQGQZSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]32)n1CC(C)(C)C[NH+](C)C ZINC001303381752 1067910670 /nfs/dbraw/zinc/91/06/70/1067910670.db2.gz LKQBIIKGQNYFJT-QPPBQGQZSA-N 2 1 467.662 3.062 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001303396450 1067923811 /nfs/dbraw/zinc/92/38/11/1067923811.db2.gz GHEYAFKMTKPATN-UHFFFAOYSA-N 2 1 481.689 3.371 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001303405366 1067933700 /nfs/dbraw/zinc/93/37/00/1067933700.db2.gz RGLWOAYXEUOUOX-UHFFFAOYSA-N 2 1 467.662 3.003 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926859 1067971748 /nfs/dbraw/zinc/97/17/48/1067971748.db2.gz UIVVOHIJNQBRLK-NHCUHLMSSA-N 2 1 487.718 3.168 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CCOC1 ZINC001303503274 1068034424 /nfs/dbraw/zinc/03/44/24/1068034424.db2.gz BZSDCSBYTOKMEF-QFQXNSOFSA-N 2 1 476.710 3.360 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001303571899 1068096981 /nfs/dbraw/zinc/09/69/81/1068096981.db2.gz RRTBQJBBWXQANA-UHFFFAOYSA-N 2 1 469.678 3.075 20 0 JGADMP C[C@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001305042702 1068098306 /nfs/dbraw/zinc/09/83/06/1068098306.db2.gz KICDFIVSVCQGLW-QHCPKHFHSA-N 2 1 487.737 3.471 20 0 JGADMP C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305058937 1068122240 /nfs/dbraw/zinc/12/22/40/1068122240.db2.gz JNTMYIWAEPAERE-FQEVSTJZSA-N 2 1 488.702 3.144 20 0 JGADMP C[C@H]1CCC[NH+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305058937 1068122245 /nfs/dbraw/zinc/12/22/45/1068122245.db2.gz JNTMYIWAEPAERE-FQEVSTJZSA-N 2 1 488.702 3.144 20 0 JGADMP C[C@H]1CCC[NH+]1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305058937 1068122247 /nfs/dbraw/zinc/12/22/47/1068122247.db2.gz JNTMYIWAEPAERE-FQEVSTJZSA-N 2 1 488.702 3.144 20 0 JGADMP CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305106992 1068175130 /nfs/dbraw/zinc/17/51/30/1068175130.db2.gz LVYFJBDUHPCSHM-UHFFFAOYSA-N 2 1 467.706 3.387 20 0 JGADMP 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 1068192453 /nfs/dbraw/zinc/19/24/53/1068192453.db2.gz ZHTZDBVBAJLCTO-HKBOAZHASA-N 2 1 476.710 3.153 20 0 JGADMP C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC001303662537 1068193235 /nfs/dbraw/zinc/19/32/35/1068193235.db2.gz GPKXWUPNSKKJPE-OAQYLSRUSA-N 2 1 459.683 3.089 20 0 JGADMP C[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC001303663717 1068195520 /nfs/dbraw/zinc/19/55/20/1068195520.db2.gz OQFBCWJWIBNLKQ-JOCHJYFZSA-N 2 1 481.689 3.345 20 0 JGADMP C[C@H](CCn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667327 1068201924 /nfs/dbraw/zinc/20/19/24/1068201924.db2.gz QRXGQMSTEOQECV-RPWUZVMVSA-N 2 1 498.716 3.402 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305125717 1068212978 /nfs/dbraw/zinc/21/29/78/1068212978.db2.gz ZTVMZAMOKCPAQT-SFTDATJTSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001305125717 1068212988 /nfs/dbraw/zinc/21/29/88/1068212988.db2.gz ZTVMZAMOKCPAQT-SFTDATJTSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001305125717 1068212996 /nfs/dbraw/zinc/21/29/96/1068212996.db2.gz ZTVMZAMOKCPAQT-SFTDATJTSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCC2)CCOC1 ZINC001303752815 1068314356 /nfs/dbraw/zinc/31/43/56/1068314356.db2.gz UDBJGQJIRLQULW-NVQXNPDNSA-N 2 1 476.710 3.361 20 0 JGADMP C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001303753304 1068314828 /nfs/dbraw/zinc/31/48/28/1068314828.db2.gz WAVJUTZDUIQMNJ-HXUWFJFHSA-N 2 1 487.718 3.312 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755321 1068318513 /nfs/dbraw/zinc/31/85/13/1068318513.db2.gz VWOZFINHUXXQFG-ZEQKJWHPSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303757516 1068320910 /nfs/dbraw/zinc/32/09/10/1068320910.db2.gz XUULWRMULZCTPC-NHCUHLMSSA-N 2 1 488.652 3.492 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001303757518 1068321195 /nfs/dbraw/zinc/32/11/95/1068321195.db2.gz XUULWRMULZCTPC-RTWAWAEBSA-N 2 1 488.652 3.492 20 0 JGADMP C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303800161 1068393772 /nfs/dbraw/zinc/39/37/72/1068393772.db2.gz WJYNBKUSHVKXJS-BDTNDASRSA-N 2 1 494.688 3.353 20 0 JGADMP C[C@H]([NH2+]C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001303800161 1068393786 /nfs/dbraw/zinc/39/37/86/1068393786.db2.gz WJYNBKUSHVKXJS-BDTNDASRSA-N 2 1 494.688 3.353 20 0 JGADMP C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001303903508 1068547470 /nfs/dbraw/zinc/54/74/70/1068547470.db2.gz RQHBAOVSEORKOP-REWPJTCUSA-N 2 1 488.652 3.446 20 0 JGADMP 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 1068644469 /nfs/dbraw/zinc/64/44/69/1068644469.db2.gz MCNUIXKEJCIHCW-OQLXKQOESA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001305403584 1068644473 /nfs/dbraw/zinc/64/44/73/1068644473.db2.gz MCNUIXKEJCIHCW-OQLXKQOESA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001305403584 1068644480 /nfs/dbraw/zinc/64/44/80/1068644480.db2.gz MCNUIXKEJCIHCW-OQLXKQOESA-N 2 1 456.683 3.386 20 0 JGADMP 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 1068652630 /nfs/dbraw/zinc/65/26/30/1068652630.db2.gz ZNGBADAQVOBCPA-KNAFXUBQSA-N 2 1 487.737 3.293 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305429475 1068667815 /nfs/dbraw/zinc/66/78/15/1068667815.db2.gz MKNNHDISQCKIRC-CHZKFRDHSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305429484 1068668467 /nfs/dbraw/zinc/66/84/67/1068668467.db2.gz MKNNHDISQCKIRC-VAPDBKPJSA-N 2 1 470.662 3.404 20 0 JGADMP 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 1068679159 /nfs/dbraw/zinc/67/91/59/1068679159.db2.gz MKYCYGIGFCLPKD-FDFHNCONSA-N 2 1 476.710 3.228 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455606 1068694516 /nfs/dbraw/zinc/69/45/16/1068694516.db2.gz CTWFPUIWUKZUAA-UPVQGACJSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455606 1068694517 /nfs/dbraw/zinc/69/45/17/1068694517.db2.gz CTWFPUIWUKZUAA-UPVQGACJSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455606 1068694520 /nfs/dbraw/zinc/69/45/20/1068694520.db2.gz CTWFPUIWUKZUAA-UPVQGACJSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305461009 1068704495 /nfs/dbraw/zinc/70/44/95/1068704495.db2.gz ZBYNIIMIQOOWQP-HSZRJFAPSA-N 2 1 489.753 3.022 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001305520221 1068771205 /nfs/dbraw/zinc/77/12/05/1068771205.db2.gz UOIIELMSQHTTPS-NFBKMPQASA-N 2 1 454.663 3.327 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCn1cc[nH+]c1C ZINC001305531385 1068787892 /nfs/dbraw/zinc/78/78/92/1068787892.db2.gz UQLXOTWWJVXVRB-OAQYLSRUSA-N 2 1 456.683 3.382 20 0 JGADMP CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305532305 1068789610 /nfs/dbraw/zinc/78/96/10/1068789610.db2.gz ZSIRFAHSYXFEBB-ZEQRLZLVSA-N 2 1 489.753 3.287 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541661 1068812559 /nfs/dbraw/zinc/81/25/59/1068812559.db2.gz YUFXWUXQINNWMJ-PKTZIBPZSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305544336 1068821060 /nfs/dbraw/zinc/82/10/60/1068821060.db2.gz OWMIXMIEMRCHJB-UNMCSNQZSA-N 2 1 458.626 3.221 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001305546021 1068824516 /nfs/dbraw/zinc/82/45/16/1068824516.db2.gz QEPWAFZSTMUSPV-PKTZIBPZSA-N 2 1 476.710 3.231 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001305609452 1068882066 /nfs/dbraw/zinc/88/20/66/1068882066.db2.gz DHMSLXKVSQMDOK-RTWAWAEBSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001305609452 1068882071 /nfs/dbraw/zinc/88/20/71/1068882071.db2.gz DHMSLXKVSQMDOK-RTWAWAEBSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001305609452 1068882081 /nfs/dbraw/zinc/88/20/81/1068882081.db2.gz DHMSLXKVSQMDOK-RTWAWAEBSA-N 2 1 467.662 3.324 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611534 1068886105 /nfs/dbraw/zinc/88/61/05/1068886105.db2.gz MEPNCQWRCZLLQU-FDFHNCONSA-N 2 1 469.678 3.396 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611534 1068886114 /nfs/dbraw/zinc/88/61/14/1068886114.db2.gz MEPNCQWRCZLLQU-FDFHNCONSA-N 2 1 469.678 3.396 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305611534 1068886123 /nfs/dbraw/zinc/88/61/23/1068886123.db2.gz MEPNCQWRCZLLQU-FDFHNCONSA-N 2 1 469.678 3.396 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001305616076 1068895242 /nfs/dbraw/zinc/89/52/42/1068895242.db2.gz YRWMVNMZLYDHQK-RTWAWAEBSA-N 2 1 455.651 3.068 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001305616076 1068895246 /nfs/dbraw/zinc/89/52/46/1068895246.db2.gz YRWMVNMZLYDHQK-RTWAWAEBSA-N 2 1 455.651 3.068 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001305616076 1068895255 /nfs/dbraw/zinc/89/52/55/1068895255.db2.gz YRWMVNMZLYDHQK-RTWAWAEBSA-N 2 1 455.651 3.068 20 0 JGADMP CC[C@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001305667249 1069010292 /nfs/dbraw/zinc/01/02/92/1069010292.db2.gz WTMKYYXEHOYLNC-JYFHCDHNSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667249 1069010299 /nfs/dbraw/zinc/01/02/99/1069010299.db2.gz WTMKYYXEHOYLNC-JYFHCDHNSA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001305676212 1069029373 /nfs/dbraw/zinc/02/93/73/1069029373.db2.gz GDZFVBFRLOYCKB-RCZVLFRGSA-N 2 1 472.703 3.026 20 0 JGADMP CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001305710901 1069108988 /nfs/dbraw/zinc/10/89/88/1069108988.db2.gz XQPGCLYEYYJPGJ-JWQCQUIFSA-N 2 1 495.716 3.363 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001305785747 1069287827 /nfs/dbraw/zinc/28/78/27/1069287827.db2.gz KJTRFMCQBVLOCL-NRFANRHFSA-N 2 1 461.699 3.095 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305786926 1069292096 /nfs/dbraw/zinc/29/20/96/1069292096.db2.gz ZJSRTTPPIGYLMY-DENIHFKCSA-N 2 1 461.699 3.237 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164389149 718815158 /nfs/dbraw/zinc/81/51/58/718815158.db2.gz UGEGZIFYFKOZHE-LAUBAEHRSA-N 2 1 497.606 3.391 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164389149 718815163 /nfs/dbraw/zinc/81/51/63/718815163.db2.gz UGEGZIFYFKOZHE-LAUBAEHRSA-N 2 1 497.606 3.391 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001164618291 719017295 /nfs/dbraw/zinc/01/72/95/719017295.db2.gz SAHSDGSBCOXKLK-NEWSRXKRSA-N 2 1 469.655 3.142 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690377 719759998 /nfs/dbraw/zinc/75/99/98/719759998.db2.gz BBKPKBBFRVTXNI-FQRUVTKNSA-N 2 1 460.557 3.228 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164690377 719760022 /nfs/dbraw/zinc/76/00/22/719760022.db2.gz BBKPKBBFRVTXNI-FQRUVTKNSA-N 2 1 460.557 3.228 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690378 719761387 /nfs/dbraw/zinc/76/13/87/719761387.db2.gz BBKPKBBFRVTXNI-IBVKSMDESA-N 2 1 460.557 3.228 20 0 JGADMP Fc1cccnc1N(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164690378 719761397 /nfs/dbraw/zinc/76/13/97/719761397.db2.gz BBKPKBBFRVTXNI-IBVKSMDESA-N 2 1 460.557 3.228 20 0 JGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164710858 720134004 /nfs/dbraw/zinc/13/40/04/720134004.db2.gz FBQCIBBIOVFAJU-DEOSSOPVSA-N 2 1 465.642 3.459 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740950 720762207 /nfs/dbraw/zinc/76/22/07/720762207.db2.gz LNOZFBQQOOKLCV-MOPGFXCFSA-N 2 1 467.643 3.282 20 0 JGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740950 720762221 /nfs/dbraw/zinc/76/22/21/720762221.db2.gz LNOZFBQQOOKLCV-MOPGFXCFSA-N 2 1 467.643 3.282 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3nc(C(=O)N4CCC[C@@H]4C)c4c3CC[NH2+]C4)c2c1C ZINC001164849983 720806307 /nfs/dbraw/zinc/80/63/07/720806307.db2.gz HQHTZLSORDOAJE-HNNXBMFYSA-N 2 1 479.654 3.360 20 0 JGADMP 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 721247026 /nfs/dbraw/zinc/24/70/26/721247026.db2.gz RPUNKQYSTRRVQJ-RBUKOAKNSA-N 2 1 462.976 3.348 20 0 JGADMP c1cc(OCC[NH+]2CCCC2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963297 722058881 /nfs/dbraw/zinc/05/88/81/722058881.db2.gz VWBAIZUCDULJLB-UHFFFAOYSA-N 2 1 451.615 3.070 20 0 JGADMP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CCC2 ZINC001165001658 722254260 /nfs/dbraw/zinc/25/42/60/722254260.db2.gz FQBPSKIAACTCIZ-UHFFFAOYSA-N 2 1 463.561 3.304 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cn(Cc4ccc(Cl)cc4)cn3)CC2)CC1 ZINC001305810005 1069339789 /nfs/dbraw/zinc/33/97/89/1069339789.db2.gz AJJKMWUZZFAIAP-UHFFFAOYSA-N 2 1 458.050 3.440 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001298730125 1064545026 /nfs/dbraw/zinc/54/50/26/1064545026.db2.gz RZZFHQUQWAQNDH-XMMPIXPASA-N 2 1 495.647 3.253 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001298730125 1064545042 /nfs/dbraw/zinc/54/50/42/1064545042.db2.gz RZZFHQUQWAQNDH-XMMPIXPASA-N 2 1 495.647 3.253 20 0 JGADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001298782493 1064586823 /nfs/dbraw/zinc/58/68/23/1064586823.db2.gz UVUYVIKNJCKSSC-RBBKRZOGSA-N 2 1 456.683 3.314 20 0 JGADMP COc1cc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cc(OC)c1OC ZINC001299855924 1065064446 /nfs/dbraw/zinc/06/44/46/1065064446.db2.gz ZDNXHOVEPFJCLE-UHFFFAOYSA-N 2 1 488.677 3.479 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001299899107 1065134583 /nfs/dbraw/zinc/13/45/83/1065134583.db2.gz YCSMYHSICBBDPK-NRFANRHFSA-N 2 1 491.080 3.494 20 0 JGADMP COc1cc(Cl)ccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001299899107 1065134588 /nfs/dbraw/zinc/13/45/88/1065134588.db2.gz YCSMYHSICBBDPK-NRFANRHFSA-N 2 1 491.080 3.494 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001492265711 1065358188 /nfs/dbraw/zinc/35/81/88/1065358188.db2.gz DFNBKPULGWVKJE-XMMPIXPASA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001492265711 1065358199 /nfs/dbraw/zinc/35/81/99/1065358199.db2.gz DFNBKPULGWVKJE-XMMPIXPASA-N 2 1 497.688 3.179 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001492352897 1065414720 /nfs/dbraw/zinc/41/47/20/1065414720.db2.gz RGXPHBNJALRTDD-YIXXDRMTSA-N 2 1 484.689 3.443 20 0 JGADMP Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492360406 1065422447 /nfs/dbraw/zinc/42/24/47/1065422447.db2.gz STIUXCBJUPRSMO-VWLOTQADSA-N 2 1 484.689 3.489 20 0 JGADMP 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 1066335676 /nfs/dbraw/zinc/33/56/76/1066335676.db2.gz TZDOHPZXPALOJT-VKGYTVAMSA-N 2 1 474.625 3.117 20 0 JGADMP COCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001301607709 1066454209 /nfs/dbraw/zinc/45/42/09/1066454209.db2.gz PCUUVKUMYMEWQT-IBGZPJMESA-N 2 1 465.017 3.380 20 0 JGADMP COCCC[NH+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001301607709 1066454227 /nfs/dbraw/zinc/45/42/27/1066454227.db2.gz PCUUVKUMYMEWQT-IBGZPJMESA-N 2 1 465.017 3.380 20 0 JGADMP COCCC[NH+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001301607709 1066454237 /nfs/dbraw/zinc/45/42/37/1066454237.db2.gz PCUUVKUMYMEWQT-IBGZPJMESA-N 2 1 465.017 3.380 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001302068822 1066472648 /nfs/dbraw/zinc/47/26/48/1066472648.db2.gz PYIBJWOEXVOIBR-SGIRGMQISA-N 2 1 464.699 3.433 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001301709045 1066602100 /nfs/dbraw/zinc/60/21/00/1066602100.db2.gz RUKPQQUVXLEWDI-ILBGXUMGSA-N 2 1 487.737 3.122 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301726999 1066644411 /nfs/dbraw/zinc/64/44/11/1066644411.db2.gz YOHZHGTXXGMMMB-UHFFFAOYSA-N 2 1 479.069 3.496 20 0 JGADMP COCC[NH+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301726999 1066644415 /nfs/dbraw/zinc/64/44/15/1066644415.db2.gz YOHZHGTXXGMMMB-UHFFFAOYSA-N 2 1 479.069 3.496 20 0 JGADMP COCC[NH+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301726999 1066644418 /nfs/dbraw/zinc/64/44/18/1066644418.db2.gz YOHZHGTXXGMMMB-UHFFFAOYSA-N 2 1 479.069 3.496 20 0 JGADMP COCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001301731015 1066649996 /nfs/dbraw/zinc/64/99/96/1066649996.db2.gz IWDBYMYSCNTNAE-DHIUTWEWSA-N 2 1 462.683 3.190 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001301873827 1066874094 /nfs/dbraw/zinc/87/40/94/1066874094.db2.gz AVTNNKXFNRTWAN-UHFFFAOYSA-N 2 1 464.724 3.096 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001301874375 1066874667 /nfs/dbraw/zinc/87/46/67/1066874667.db2.gz HULPRYDOIHLMCL-XUZZJYLKSA-N 2 1 470.662 3.404 20 0 JGADMP COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001301874278 1066875023 /nfs/dbraw/zinc/87/50/23/1066875023.db2.gz GYYWDPWRAHHMRA-QHCPKHFHSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001301874278 1066875032 /nfs/dbraw/zinc/87/50/32/1066875032.db2.gz GYYWDPWRAHHMRA-QHCPKHFHSA-N 2 1 497.688 3.180 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001301875971 1066877287 /nfs/dbraw/zinc/87/72/87/1066877287.db2.gz SQORGCOZAHKHFJ-XMMPIXPASA-N 2 1 454.663 3.472 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001301875971 1066877293 /nfs/dbraw/zinc/87/72/93/1066877293.db2.gz SQORGCOZAHKHFJ-XMMPIXPASA-N 2 1 454.663 3.472 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001301878205 1066881004 /nfs/dbraw/zinc/88/10/04/1066881004.db2.gz ULCFCRGXLJGVKG-FYYLOGMGSA-N 2 1 470.662 3.288 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302303760 1066890875 /nfs/dbraw/zinc/89/08/75/1066890875.db2.gz LFYAWPKZLVCOPP-VABKMULXSA-N 2 1 462.683 3.043 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001302303760 1066890885 /nfs/dbraw/zinc/89/08/85/1066890885.db2.gz LFYAWPKZLVCOPP-VABKMULXSA-N 2 1 462.683 3.043 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001302303760 1066890895 /nfs/dbraw/zinc/89/08/95/1066890895.db2.gz LFYAWPKZLVCOPP-VABKMULXSA-N 2 1 462.683 3.043 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001301886100 1066896046 /nfs/dbraw/zinc/89/60/46/1066896046.db2.gz RMPHSMOGSJJYNG-FCHUYYIVSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001301887282 1066900292 /nfs/dbraw/zinc/90/02/92/1066900292.db2.gz IAWPTAPZAKYYQL-GOSISDBHSA-N 2 1 477.053 3.248 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066905001 /nfs/dbraw/zinc/90/50/01/1066905001.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066905003 /nfs/dbraw/zinc/90/50/03/1066905003.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066905009 /nfs/dbraw/zinc/90/50/09/1066905009.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 2 1 491.080 3.112 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001301888789 1066905034 /nfs/dbraw/zinc/90/50/34/1066905034.db2.gz PITCBGNWZGEOTQ-UXHICEINSA-N 2 1 461.054 3.487 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001301895848 1066917329 /nfs/dbraw/zinc/91/73/29/1066917329.db2.gz ATIHOPQOSUDXGT-VXKWHMMOSA-N 2 1 454.663 3.390 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001301909719 1066933767 /nfs/dbraw/zinc/93/37/67/1066933767.db2.gz FZFODRLRRARBJD-IBGZPJMESA-N 2 1 463.070 3.267 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001301912583 1066939494 /nfs/dbraw/zinc/93/94/94/1066939494.db2.gz KTXNMJGUUZTWKY-PMVMPFDFSA-N 2 1 462.683 3.187 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301919210 1066950674 /nfs/dbraw/zinc/95/06/74/1066950674.db2.gz GNNRIWLGDWJMPR-HFZDXXHNSA-N 2 1 472.653 3.287 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301919718 1066951959 /nfs/dbraw/zinc/95/19/59/1066951959.db2.gz JZKUITKMRWOEES-ZJSXRUAMSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919718 1066951966 /nfs/dbraw/zinc/95/19/66/1066951966.db2.gz JZKUITKMRWOEES-ZJSXRUAMSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919718 1066951975 /nfs/dbraw/zinc/95/19/75/1066951975.db2.gz JZKUITKMRWOEES-ZJSXRUAMSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301919709 1066952215 /nfs/dbraw/zinc/95/22/15/1066952215.db2.gz JZKUITKMRWOEES-QPPBQGQZSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919709 1066952226 /nfs/dbraw/zinc/95/22/26/1066952226.db2.gz JZKUITKMRWOEES-QPPBQGQZSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301919709 1066952237 /nfs/dbraw/zinc/95/22/37/1066952237.db2.gz JZKUITKMRWOEES-QPPBQGQZSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919712 1066952281 /nfs/dbraw/zinc/95/22/81/1066952281.db2.gz JZKUITKMRWOEES-URXFXBBRSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919712 1066952290 /nfs/dbraw/zinc/95/22/90/1066952290.db2.gz JZKUITKMRWOEES-URXFXBBRSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001301919712 1066952297 /nfs/dbraw/zinc/95/22/97/1066952297.db2.gz JZKUITKMRWOEES-URXFXBBRSA-N 2 1 484.689 3.155 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001301927571 1066963461 /nfs/dbraw/zinc/96/34/61/1066963461.db2.gz JQWUPSFISDNBQD-QHCPKHFHSA-N 2 1 470.662 3.054 20 0 JGADMP CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303981256 1067029150 /nfs/dbraw/zinc/02/91/50/1067029150.db2.gz HLZKLXOLCLMKHT-NHCUHLMSSA-N 2 1 476.710 3.228 20 0 JGADMP CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303981256 1067029166 /nfs/dbraw/zinc/02/91/66/1067029166.db2.gz HLZKLXOLCLMKHT-NHCUHLMSSA-N 2 1 476.710 3.228 20 0 JGADMP CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302527166 1067153046 /nfs/dbraw/zinc/15/30/46/1067153046.db2.gz ZFKLPSUPTZGMQS-XMMPIXPASA-N 2 1 483.705 3.179 20 0 JGADMP 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 1067182916 /nfs/dbraw/zinc/18/29/16/1067182916.db2.gz VHPHADULWLAJFW-CJFMBICVSA-N 2 1 491.080 3.285 20 0 JGADMP CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302571373 1067211125 /nfs/dbraw/zinc/21/11/25/1067211125.db2.gz OOFQIBBLDZXCBP-RUZDIDTESA-N 2 1 467.706 3.386 20 0 JGADMP CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302571373 1067211136 /nfs/dbraw/zinc/21/11/36/1067211136.db2.gz OOFQIBBLDZXCBP-RUZDIDTESA-N 2 1 467.706 3.386 20 0 JGADMP CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001302571373 1067211146 /nfs/dbraw/zinc/21/11/46/1067211146.db2.gz OOFQIBBLDZXCBP-RUZDIDTESA-N 2 1 467.706 3.386 20 0 JGADMP Cc1ccc(C(C)C)c(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304269075 1067303170 /nfs/dbraw/zinc/30/31/70/1067303170.db2.gz UUSCWFWEHNFHTH-GOTSBHOMSA-N 2 1 484.689 3.398 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001302688355 1067312841 /nfs/dbraw/zinc/31/28/41/1067312841.db2.gz BKWDQCFRMGSAKR-QHCPKHFHSA-N 2 1 484.689 3.085 20 0 JGADMP CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001302688355 1067312853 /nfs/dbraw/zinc/31/28/53/1067312853.db2.gz BKWDQCFRMGSAKR-QHCPKHFHSA-N 2 1 484.689 3.085 20 0 JGADMP CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001302808850 1067397275 /nfs/dbraw/zinc/39/72/75/1067397275.db2.gz ROVAHCBWQLXKKJ-SJORKVTESA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001302808850 1067397285 /nfs/dbraw/zinc/39/72/85/1067397285.db2.gz ROVAHCBWQLXKKJ-SJORKVTESA-N 2 1 497.507 3.266 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001304376526 1067418035 /nfs/dbraw/zinc/41/80/35/1067418035.db2.gz ZMSQEVGZAUUOQR-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304384920 1067436550 /nfs/dbraw/zinc/43/65/50/1067436550.db2.gz WCQPPWJMSRZVNZ-UHFFFAOYSA-N 2 1 497.688 3.180 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+]2CCOCC2)cc1C ZINC001304384920 1067436556 /nfs/dbraw/zinc/43/65/56/1067436556.db2.gz WCQPPWJMSRZVNZ-UHFFFAOYSA-N 2 1 497.688 3.180 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302902225 1067487006 /nfs/dbraw/zinc/48/70/06/1067487006.db2.gz ZEAJRBJYDMMOOO-KDURUIRLSA-N 2 1 491.478 3.349 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H](C)O1 ZINC001302902225 1067487011 /nfs/dbraw/zinc/48/70/11/1067487011.db2.gz ZEAJRBJYDMMOOO-KDURUIRLSA-N 2 1 491.478 3.349 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302905402 1067490448 /nfs/dbraw/zinc/49/04/48/1067490448.db2.gz NUSMLBLRDAPAQR-BHIFYINESA-N 2 1 462.683 3.330 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC001302905402 1067490452 /nfs/dbraw/zinc/49/04/52/1067490452.db2.gz NUSMLBLRDAPAQR-BHIFYINESA-N 2 1 462.683 3.330 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001304420956 1067496685 /nfs/dbraw/zinc/49/66/85/1067496685.db2.gz XXXGDYFJITUWDG-UHFFFAOYSA-N 2 1 484.689 3.363 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001304420956 1067496688 /nfs/dbraw/zinc/49/66/88/1067496688.db2.gz XXXGDYFJITUWDG-UHFFFAOYSA-N 2 1 484.689 3.363 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302965456 1067535837 /nfs/dbraw/zinc/53/58/37/1067535837.db2.gz DNXWIODJRLIMHJ-UHFFFAOYSA-N 2 1 454.663 3.410 20 0 JGADMP Cc1cccc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304464097 1067542111 /nfs/dbraw/zinc/54/21/11/1067542111.db2.gz JAKPATVYWJJIRF-QPPBQGQZSA-N 2 1 469.678 3.314 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001304478713 1067557726 /nfs/dbraw/zinc/55/77/26/1067557726.db2.gz HAJMCVDJMZDFAT-UHFFFAOYSA-N 2 1 455.651 3.070 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001304478713 1067557731 /nfs/dbraw/zinc/55/77/31/1067557731.db2.gz HAJMCVDJMZDFAT-UHFFFAOYSA-N 2 1 455.651 3.070 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+]2CCOCC2(C)C)n1 ZINC001304478713 1067557738 /nfs/dbraw/zinc/55/77/38/1067557738.db2.gz HAJMCVDJMZDFAT-UHFFFAOYSA-N 2 1 455.651 3.070 20 0 JGADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+]2CCOCC2(C)C)n1 ZINC001304478713 1067557742 /nfs/dbraw/zinc/55/77/42/1067557742.db2.gz HAJMCVDJMZDFAT-UHFFFAOYSA-N 2 1 455.651 3.070 20 0 JGADMP 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 1067571803 /nfs/dbraw/zinc/57/18/03/1067571803.db2.gz IFSUAGAVEKGCNT-PSWAGMNNSA-N 2 1 495.716 3.415 20 0 JGADMP Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304506569 1067580276 /nfs/dbraw/zinc/58/02/76/1067580276.db2.gz IAFHXWGSLFAKGF-RUZDIDTESA-N 2 1 484.689 3.489 20 0 JGADMP 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 1067580486 /nfs/dbraw/zinc/58/04/86/1067580486.db2.gz OAZOWHPZUGATEB-RJGXRXQPSA-N 2 1 484.689 3.441 20 0 JGADMP Cc1ccccc1-c1nnc(N2CC[NH+](C(C)C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001304537107 1067608596 /nfs/dbraw/zinc/60/85/96/1067608596.db2.gz LGWJXSQIBRDNAF-UHFFFAOYSA-N 2 1 453.679 3.058 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCOCC[NH+](C)C ZINC001304560346 1067629905 /nfs/dbraw/zinc/62/99/05/1067629905.db2.gz TXMULQDZGUADLC-UHFFFAOYSA-N 2 1 454.663 3.210 20 0 JGADMP Cc1ccccc1Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001304560716 1067630791 /nfs/dbraw/zinc/63/07/91/1067630791.db2.gz WSSROCQHQKQCPJ-UHFFFAOYSA-N 2 1 478.689 3.211 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303183859 1067716826 /nfs/dbraw/zinc/71/68/26/1067716826.db2.gz HETFLPRNRVORBD-NRFANRHFSA-N 2 1 488.652 3.446 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303183859 1067716830 /nfs/dbraw/zinc/71/68/30/1067716830.db2.gz HETFLPRNRVORBD-NRFANRHFSA-N 2 1 488.652 3.446 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001303183862 1067716949 /nfs/dbraw/zinc/71/69/49/1067716949.db2.gz HETFLPRNRVORBD-OAQYLSRUSA-N 2 1 488.652 3.446 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001303183862 1067716954 /nfs/dbraw/zinc/71/69/54/1067716954.db2.gz HETFLPRNRVORBD-OAQYLSRUSA-N 2 1 488.652 3.446 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303188711 1067722808 /nfs/dbraw/zinc/72/28/08/1067722808.db2.gz HGDRFMPETDQGKY-JOCHJYFZSA-N 2 1 464.662 3.367 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)cs1 ZINC001304656681 1067725237 /nfs/dbraw/zinc/72/52/37/1067725237.db2.gz NKSVYMGKUITHDX-UHFFFAOYSA-N 2 1 489.734 3.303 20 0 JGADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(C)(C)C[NH+]2CCCC2)cs1 ZINC001304656681 1067725243 /nfs/dbraw/zinc/72/52/43/1067725243.db2.gz NKSVYMGKUITHDX-UHFFFAOYSA-N 2 1 489.734 3.303 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001303200607 1067736437 /nfs/dbraw/zinc/73/64/37/1067736437.db2.gz CWNVSCIFDRTGQY-BJKOFHAPSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001303200607 1067736444 /nfs/dbraw/zinc/73/64/44/1067736444.db2.gz CWNVSCIFDRTGQY-BJKOFHAPSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(C(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001303200607 1067736448 /nfs/dbraw/zinc/73/64/48/1067736448.db2.gz CWNVSCIFDRTGQY-BJKOFHAPSA-N 2 1 454.663 3.469 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001303201447 1067737186 /nfs/dbraw/zinc/73/71/86/1067737186.db2.gz LCNZXWGGQMLBSI-XMMPIXPASA-N 2 1 476.710 3.087 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CC[NH+](C(C)C)C(C)C)cs1 ZINC001304674589 1067745379 /nfs/dbraw/zinc/74/53/79/1067745379.db2.gz SIHQEPZZRLUXQZ-QFIPXVFZSA-N 2 1 475.707 3.054 20 0 JGADMP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208732 1067746963 /nfs/dbraw/zinc/74/69/63/1067746963.db2.gz YDHIRANHAHEFLI-XMMPIXPASA-N 2 1 484.689 3.133 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(N3CC[NH+](CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208732 1067746970 /nfs/dbraw/zinc/74/69/70/1067746970.db2.gz YDHIRANHAHEFLI-XMMPIXPASA-N 2 1 484.689 3.133 20 0 JGADMP Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001304704039 1067776272 /nfs/dbraw/zinc/77/62/72/1067776272.db2.gz BNBNNHPGHQNDRX-UHFFFAOYSA-N 2 1 475.439 3.172 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001303255115 1067780838 /nfs/dbraw/zinc/78/08/38/1067780838.db2.gz WCFSFQGFJINVJI-JOCHJYFZSA-N 2 1 487.718 3.435 20 0 JGADMP CC(C)[N@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001303256730 1067783676 /nfs/dbraw/zinc/78/36/76/1067783676.db2.gz ASVOGCIIDFTJSD-UHFFFAOYSA-N 2 1 472.653 3.287 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001303256730 1067783682 /nfs/dbraw/zinc/78/36/82/1067783682.db2.gz ASVOGCIIDFTJSD-UHFFFAOYSA-N 2 1 472.653 3.287 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001303259721 1067786215 /nfs/dbraw/zinc/78/62/15/1067786215.db2.gz XBQGRTAKFWFLJZ-UHFFFAOYSA-N 2 1 483.705 3.056 20 0 JGADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001303259755 1067786268 /nfs/dbraw/zinc/78/62/68/1067786268.db2.gz YMSUBXCZOOJMRW-RBBKRZOGSA-N 2 1 459.683 3.050 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303264190 1067791533 /nfs/dbraw/zinc/79/15/33/1067791533.db2.gz BKOAGWOHJWOFBE-JOCHJYFZSA-N 2 1 456.635 3.441 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001303267754 1067794860 /nfs/dbraw/zinc/79/48/60/1067794860.db2.gz HSRZQBIMUADZQW-HXUWFJFHSA-N 2 1 460.692 3.350 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001303267754 1067794866 /nfs/dbraw/zinc/79/48/66/1067794866.db2.gz HSRZQBIMUADZQW-HXUWFJFHSA-N 2 1 460.692 3.350 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2ccsc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001303267754 1067794869 /nfs/dbraw/zinc/79/48/69/1067794869.db2.gz HSRZQBIMUADZQW-HXUWFJFHSA-N 2 1 460.692 3.350 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC001303268534 1067796288 /nfs/dbraw/zinc/79/62/88/1067796288.db2.gz IXJQBERTSOSYNL-JOCHJYFZSA-N 2 1 490.656 3.366 20 0 JGADMP CC(C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001303268534 1067796293 /nfs/dbraw/zinc/79/62/93/1067796293.db2.gz IXJQBERTSOSYNL-JOCHJYFZSA-N 2 1 490.656 3.366 20 0 JGADMP CC(C)[NH+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001303268534 1067796301 /nfs/dbraw/zinc/79/63/01/1067796301.db2.gz IXJQBERTSOSYNL-JOCHJYFZSA-N 2 1 490.656 3.366 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001304725034 1067796916 /nfs/dbraw/zinc/79/69/16/1067796916.db2.gz FSUUTUQDOMJQOP-NRFANRHFSA-N 2 1 458.699 3.224 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001304726131 1067798791 /nfs/dbraw/zinc/79/87/91/1067798791.db2.gz VPXDUJOUKNQQDP-RXVVDRJESA-N 2 1 498.651 3.180 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001303270937 1067799618 /nfs/dbraw/zinc/79/96/18/1067799618.db2.gz NFECNODMLIOYRY-UHFFFAOYSA-N 2 1 461.054 3.487 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001303276748 1067804527 /nfs/dbraw/zinc/80/45/27/1067804527.db2.gz JVLIMLMIFLXHGM-FQEVSTJZSA-N 2 1 458.626 3.038 20 0 JGADMP CC(C)[NH+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001303276748 1067804537 /nfs/dbraw/zinc/80/45/37/1067804537.db2.gz JVLIMLMIFLXHGM-FQEVSTJZSA-N 2 1 458.626 3.038 20 0 JGADMP CC(C)[NH+](C)CCn1c(Cc2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001303276748 1067804547 /nfs/dbraw/zinc/80/45/47/1067804547.db2.gz JVLIMLMIFLXHGM-FQEVSTJZSA-N 2 1 458.626 3.038 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001303276966 1067804652 /nfs/dbraw/zinc/80/46/52/1067804652.db2.gz PWCNCVVKYLTSHG-NRFANRHFSA-N 2 1 489.659 3.092 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304739427 1067813238 /nfs/dbraw/zinc/81/32/38/1067813238.db2.gz DTWZRDGGJURIPB-LADGPHEKSA-N 2 1 464.662 3.191 20 0 JGADMP CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001303291647 1067816722 /nfs/dbraw/zinc/81/67/22/1067816722.db2.gz SQVNWRMNQWOFDM-HXUWFJFHSA-N 2 1 462.042 3.023 20 0 JGADMP CC(C)[NH+](CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001303291647 1067816731 /nfs/dbraw/zinc/81/67/31/1067816731.db2.gz SQVNWRMNQWOFDM-HXUWFJFHSA-N 2 1 462.042 3.023 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303312235 1067841932 /nfs/dbraw/zinc/84/19/32/1067841932.db2.gz ACQAOKJVRWUADL-UHFFFAOYSA-N 2 1 487.693 3.185 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001303314478 1067842643 /nfs/dbraw/zinc/84/26/43/1067842643.db2.gz ZBMOPEUUPVQICU-HXUWFJFHSA-N 2 1 489.709 3.406 20 0 JGADMP CC(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001303317173 1067845343 /nfs/dbraw/zinc/84/53/43/1067845343.db2.gz IMFBMUUHBQWWHE-UHFFFAOYSA-N 2 1 451.594 3.065 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001304765284 1067855008 /nfs/dbraw/zinc/85/50/08/1067855008.db2.gz XDVJEQJNTGSPPQ-QHCPKHFHSA-N 2 1 456.683 3.323 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+](C)C(C)C ZINC001303329215 1067857448 /nfs/dbraw/zinc/85/74/48/1067857448.db2.gz YBYXVDLSWFGUDC-FYYLOGMGSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1CC[N@H+](C)C(C)C ZINC001303329215 1067857451 /nfs/dbraw/zinc/85/74/51/1067857451.db2.gz YBYXVDLSWFGUDC-FYYLOGMGSA-N 2 1 469.678 3.246 20 0 JGADMP CC(C)NC(=O)c1nnc(N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001303329215 1067857456 /nfs/dbraw/zinc/85/74/56/1067857456.db2.gz YBYXVDLSWFGUDC-FYYLOGMGSA-N 2 1 469.678 3.246 20 0 JGADMP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001304800808 1067884957 /nfs/dbraw/zinc/88/49/57/1067884957.db2.gz SZALAYNWTYUPDT-JOCHJYFZSA-N 2 1 453.679 3.355 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001303366207 1067894114 /nfs/dbraw/zinc/89/41/14/1067894114.db2.gz KGFIFBCZYIWJSO-NRFANRHFSA-N 2 1 461.699 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001303366207 1067894139 /nfs/dbraw/zinc/89/41/39/1067894139.db2.gz KGFIFBCZYIWJSO-NRFANRHFSA-N 2 1 461.699 3.093 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001303366207 1067894157 /nfs/dbraw/zinc/89/41/57/1067894157.db2.gz KGFIFBCZYIWJSO-NRFANRHFSA-N 2 1 461.699 3.093 20 0 JGADMP Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001304858620 1067908364 /nfs/dbraw/zinc/90/83/64/1067908364.db2.gz CUMHYZXRTWPCDZ-HXUWFJFHSA-N 2 1 460.589 3.046 20 0 JGADMP Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001304858898 1067908818 /nfs/dbraw/zinc/90/88/18/1067908818.db2.gz BQPYMBNTSCXDIS-XPWALMASSA-N 2 1 453.679 3.102 20 0 JGADMP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001304858898 1067908819 /nfs/dbraw/zinc/90/88/19/1067908819.db2.gz BQPYMBNTSCXDIS-XPWALMASSA-N 2 1 453.679 3.102 20 0 JGADMP Cc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001304858898 1067908824 /nfs/dbraw/zinc/90/88/24/1067908824.db2.gz BQPYMBNTSCXDIS-XPWALMASSA-N 2 1 453.679 3.102 20 0 JGADMP 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 1067971847 /nfs/dbraw/zinc/97/18/47/1067971847.db2.gz UUDLXFIGCQVWBY-UBFVSLLYSA-N 2 1 489.753 3.001 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CC3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001303467198 1067986019 /nfs/dbraw/zinc/98/60/19/1067986019.db2.gz YDGCEUIVXUBQNQ-UHFFFAOYSA-N 2 1 459.727 3.251 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001304981990 1068022900 /nfs/dbraw/zinc/02/29/00/1068022900.db2.gz CSANTOSVOFDORW-BTKWVRSESA-N 2 1 471.694 3.340 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H](C)O1 ZINC001304981990 1068022916 /nfs/dbraw/zinc/02/29/16/1068022916.db2.gz CSANTOSVOFDORW-BTKWVRSESA-N 2 1 471.694 3.340 20 0 JGADMP C[C@H]1CCC[C@@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989916 1068032628 /nfs/dbraw/zinc/03/26/28/1068032628.db2.gz TUPZRVXNFQVMAG-NBGIEHNGSA-N 2 1 457.667 3.331 20 0 JGADMP C[C@H]1CCC[C@@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989916 1068032639 /nfs/dbraw/zinc/03/26/39/1068032639.db2.gz TUPZRVXNFQVMAG-NBGIEHNGSA-N 2 1 457.667 3.331 20 0 JGADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001304992042 1068033911 /nfs/dbraw/zinc/03/39/11/1068033911.db2.gz XWTLFNLPLMYUAB-YIXXDRMTSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCC[C@H](C)C1 ZINC001305026923 1068082773 /nfs/dbraw/zinc/08/27/73/1068082773.db2.gz SCWSMLGNLCMERM-FCHUYYIVSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305026923 1068082780 /nfs/dbraw/zinc/08/27/80/1068082780.db2.gz SCWSMLGNLCMERM-FCHUYYIVSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001305026923 1068082796 /nfs/dbraw/zinc/08/27/96/1068082796.db2.gz SCWSMLGNLCMERM-FCHUYYIVSA-N 2 1 470.710 3.433 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305047432 1068105901 /nfs/dbraw/zinc/10/59/01/1068105901.db2.gz GNSASGMJUXFQTD-QJUOVVKFSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305047432 1068105904 /nfs/dbraw/zinc/10/59/04/1068105904.db2.gz GNSASGMJUXFQTD-QJUOVVKFSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305047432 1068105908 /nfs/dbraw/zinc/10/59/08/1068105908.db2.gz GNSASGMJUXFQTD-QJUOVVKFSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305047432 1068105910 /nfs/dbraw/zinc/10/59/10/1068105910.db2.gz GNSASGMJUXFQTD-QJUOVVKFSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC001305064465 1068135765 /nfs/dbraw/zinc/13/57/65/1068135765.db2.gz DJFSSODTKVZXBM-QHCPKHFHSA-N 2 1 483.705 3.179 20 0 JGADMP C[C@@H](CCn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCCC1 ZINC001303667325 1068201984 /nfs/dbraw/zinc/20/19/84/1068201984.db2.gz QRXGQMSTEOQECV-BJKOFHAPSA-N 2 1 498.716 3.402 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305125716 1068212847 /nfs/dbraw/zinc/21/28/47/1068212847.db2.gz ZTVMZAMOKCPAQT-RTWAWAEBSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001305125716 1068212856 /nfs/dbraw/zinc/21/28/56/1068212856.db2.gz ZTVMZAMOKCPAQT-RTWAWAEBSA-N 2 1 473.710 3.237 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001305125716 1068212865 /nfs/dbraw/zinc/21/28/65/1068212865.db2.gz ZTVMZAMOKCPAQT-RTWAWAEBSA-N 2 1 473.710 3.237 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001305127268 1068213555 /nfs/dbraw/zinc/21/35/55/1068213555.db2.gz KWTVBIPDPHPOLT-FYYLOGMGSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001305127268 1068213559 /nfs/dbraw/zinc/21/35/59/1068213559.db2.gz KWTVBIPDPHPOLT-FYYLOGMGSA-N 2 1 454.663 3.255 20 0 JGADMP C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303691383 1068231678 /nfs/dbraw/zinc/23/16/78/1068231678.db2.gz DKHCOKWDCGTWKE-OAHLLOKOSA-N 2 1 464.456 3.439 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC001303693053 1068235222 /nfs/dbraw/zinc/23/52/22/1068235222.db2.gz BSKSTWRJWMZABQ-KRWDZBQOSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC001303693053 1068235229 /nfs/dbraw/zinc/23/52/29/1068235229.db2.gz BSKSTWRJWMZABQ-KRWDZBQOSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC001303693053 1068235236 /nfs/dbraw/zinc/23/52/36/1068235236.db2.gz BSKSTWRJWMZABQ-KRWDZBQOSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001303693053 1068235244 /nfs/dbraw/zinc/23/52/44/1068235244.db2.gz BSKSTWRJWMZABQ-KRWDZBQOSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC001303693054 1068235321 /nfs/dbraw/zinc/23/53/21/1068235321.db2.gz BSKSTWRJWMZABQ-QGZVFWFLSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C1CC1 ZINC001303693054 1068235325 /nfs/dbraw/zinc/23/53/25/1068235325.db2.gz BSKSTWRJWMZABQ-QGZVFWFLSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC001303693054 1068235329 /nfs/dbraw/zinc/23/53/29/1068235329.db2.gz BSKSTWRJWMZABQ-QGZVFWFLSA-N 2 1 462.042 3.023 20 0 JGADMP C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001303693054 1068235334 /nfs/dbraw/zinc/23/53/34/1068235334.db2.gz BSKSTWRJWMZABQ-QGZVFWFLSA-N 2 1 462.042 3.023 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001303707581 1068252703 /nfs/dbraw/zinc/25/27/03/1068252703.db2.gz JVQVMJKRPMXAQC-OAQYLSRUSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303707581 1068252715 /nfs/dbraw/zinc/25/27/15/1068252715.db2.gz JVQVMJKRPMXAQC-OAQYLSRUSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303707581 1068252726 /nfs/dbraw/zinc/25/27/26/1068252726.db2.gz JVQVMJKRPMXAQC-OAQYLSRUSA-N 2 1 450.635 3.120 20 0 JGADMP C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)C1CC1 ZINC001303738136 1068297092 /nfs/dbraw/zinc/29/70/92/1068297092.db2.gz VRRKRSNXNJLJHU-SFHVURJKSA-N 2 1 473.691 3.063 20 0 JGADMP C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC001303738136 1068297100 /nfs/dbraw/zinc/29/71/00/1068297100.db2.gz VRRKRSNXNJLJHU-SFHVURJKSA-N 2 1 473.691 3.063 20 0 JGADMP C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC001303738136 1068297107 /nfs/dbraw/zinc/29/71/07/1068297107.db2.gz VRRKRSNXNJLJHU-SFHVURJKSA-N 2 1 473.691 3.063 20 0 JGADMP C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC001303753083 1068315015 /nfs/dbraw/zinc/31/50/15/1068315015.db2.gz RDCVRENYTCDMOQ-OAQYLSRUSA-N 2 1 455.651 3.009 20 0 JGADMP C[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC001303753083 1068315033 /nfs/dbraw/zinc/31/50/33/1068315033.db2.gz RDCVRENYTCDMOQ-OAQYLSRUSA-N 2 1 455.651 3.009 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)CCOC1 ZINC001303755317 1068318604 /nfs/dbraw/zinc/31/86/04/1068318604.db2.gz VWOZFINHUXXQFG-JYFHCDHNSA-N 2 1 476.710 3.361 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001303757520 1068321155 /nfs/dbraw/zinc/32/11/55/1068321155.db2.gz XUULWRMULZCTPC-SFTDATJTSA-N 2 1 488.652 3.492 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001305213266 1068345358 /nfs/dbraw/zinc/34/53/58/1068345358.db2.gz NKQLCCHSEVXCHX-OFNKIYASSA-N 2 1 491.080 3.398 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001305213266 1068345360 /nfs/dbraw/zinc/34/53/60/1068345360.db2.gz NKQLCCHSEVXCHX-OFNKIYASSA-N 2 1 491.080 3.398 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001305221268 1068359373 /nfs/dbraw/zinc/35/93/73/1068359373.db2.gz IPZYYBDYNTUYJJ-DEOSSOPVSA-N 2 1 468.690 3.485 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305221268 1068359381 /nfs/dbraw/zinc/35/93/81/1068359381.db2.gz IPZYYBDYNTUYJJ-DEOSSOPVSA-N 2 1 468.690 3.485 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001305221268 1068359393 /nfs/dbraw/zinc/35/93/93/1068359393.db2.gz IPZYYBDYNTUYJJ-DEOSSOPVSA-N 2 1 468.690 3.485 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305398412 1068640666 /nfs/dbraw/zinc/64/06/66/1068640666.db2.gz LOICWQFDMPAYRI-JOCHJYFZSA-N 2 1 498.716 3.344 20 0 JGADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001305398412 1068640671 /nfs/dbraw/zinc/64/06/71/1068640671.db2.gz LOICWQFDMPAYRI-JOCHJYFZSA-N 2 1 498.716 3.344 20 0 JGADMP 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 1068644216 /nfs/dbraw/zinc/64/42/16/1068644216.db2.gz MCNUIXKEJCIHCW-VVSUKSJXSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001305403586 1068644221 /nfs/dbraw/zinc/64/42/21/1068644221.db2.gz MCNUIXKEJCIHCW-VVSUKSJXSA-N 2 1 456.683 3.386 20 0 JGADMP CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001305403586 1068644226 /nfs/dbraw/zinc/64/42/26/1068644226.db2.gz MCNUIXKEJCIHCW-VVSUKSJXSA-N 2 1 456.683 3.386 20 0 JGADMP 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 1068648184 /nfs/dbraw/zinc/64/81/84/1068648184.db2.gz AQIOCTIXQHDYTK-WMIMKTLMSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001305408890 1068648189 /nfs/dbraw/zinc/64/81/89/1068648189.db2.gz AQIOCTIXQHDYTK-WMIMKTLMSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305408890 1068648192 /nfs/dbraw/zinc/64/81/92/1068648192.db2.gz AQIOCTIXQHDYTK-WMIMKTLMSA-N 2 1 473.710 3.045 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001305413043 1068651894 /nfs/dbraw/zinc/65/18/94/1068651894.db2.gz JMJRGYJJOQNTMT-AWRGLXIESA-N 2 1 454.663 3.449 20 0 JGADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001305413043 1068651897 /nfs/dbraw/zinc/65/18/97/1068651897.db2.gz JMJRGYJJOQNTMT-AWRGLXIESA-N 2 1 454.663 3.449 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305429481 1068667983 /nfs/dbraw/zinc/66/79/83/1068667983.db2.gz MKNNHDISQCKIRC-CLLDFNAGSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455604 1068694620 /nfs/dbraw/zinc/69/46/20/1068694620.db2.gz CTWFPUIWUKZUAA-LADGPHEKSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001305455604 1068694624 /nfs/dbraw/zinc/69/46/24/1068694624.db2.gz CTWFPUIWUKZUAA-LADGPHEKSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001305455604 1068694628 /nfs/dbraw/zinc/69/46/28/1068694628.db2.gz CTWFPUIWUKZUAA-LADGPHEKSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305532125 1068789004 /nfs/dbraw/zinc/78/90/04/1068789004.db2.gz ZERQYDHLBFNJCR-ILBGXUMGSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540040 1068808775 /nfs/dbraw/zinc/80/87/75/1068808775.db2.gz HXGMUNVBRPBAEJ-VDKIKQQVSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540040 1068808790 /nfs/dbraw/zinc/80/87/90/1068808790.db2.gz HXGMUNVBRPBAEJ-VDKIKQQVSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC001305540040 1068808805 /nfs/dbraw/zinc/80/88/05/1068808805.db2.gz HXGMUNVBRPBAEJ-VDKIKQQVSA-N 2 1 495.716 3.445 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001305540793 1068810607 /nfs/dbraw/zinc/81/06/07/1068810607.db2.gz LMXAPVCBSNWGLM-AKFKNWHVSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001305540793 1068810613 /nfs/dbraw/zinc/81/06/13/1068810613.db2.gz LMXAPVCBSNWGLM-AKFKNWHVSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+]1CCCO ZINC001305540793 1068810622 /nfs/dbraw/zinc/81/06/22/1068810622.db2.gz LMXAPVCBSNWGLM-AKFKNWHVSA-N 2 1 454.663 3.349 20 0 JGADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001305544260 1068820052 /nfs/dbraw/zinc/82/00/52/1068820052.db2.gz GMQUANTYWLMGES-YADHBBJMSA-N 2 1 476.710 3.372 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305603253 1068867005 /nfs/dbraw/zinc/86/70/05/1068867005.db2.gz AHAAPWBDVHOKFI-UYAOXDASSA-N 2 1 462.042 3.025 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305603250 1068867067 /nfs/dbraw/zinc/86/70/67/1068867067.db2.gz AHAAPWBDVHOKFI-AZUAARDMSA-N 2 1 462.042 3.025 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001305606819 1068874300 /nfs/dbraw/zinc/87/43/00/1068874300.db2.gz WCCKXTGWDNRPDC-RTBURBONSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001305606819 1068874310 /nfs/dbraw/zinc/87/43/10/1068874310.db2.gz WCCKXTGWDNRPDC-RTBURBONSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001305606819 1068874322 /nfs/dbraw/zinc/87/43/22/1068874322.db2.gz WCCKXTGWDNRPDC-RTBURBONSA-N 2 1 476.069 3.122 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001305615480 1068893484 /nfs/dbraw/zinc/89/34/84/1068893484.db2.gz WPSMZJZZRXOZJS-BDTNDASRSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001305615480 1068893500 /nfs/dbraw/zinc/89/35/00/1068893500.db2.gz WPSMZJZZRXOZJS-BDTNDASRSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001305615480 1068893517 /nfs/dbraw/zinc/89/35/17/1068893517.db2.gz WPSMZJZZRXOZJS-BDTNDASRSA-N 2 1 456.683 3.500 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305616751 1068896870 /nfs/dbraw/zinc/89/68/70/1068896870.db2.gz DKFJFHIAXSPOAZ-NRFANRHFSA-N 2 1 465.621 3.456 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001305616751 1068896877 /nfs/dbraw/zinc/89/68/77/1068896877.db2.gz DKFJFHIAXSPOAZ-NRFANRHFSA-N 2 1 465.621 3.456 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001305619240 1068903017 /nfs/dbraw/zinc/90/30/17/1068903017.db2.gz FVIPTKPVAFSURT-HBMCJLEFSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001305619240 1068903020 /nfs/dbraw/zinc/90/30/20/1068903020.db2.gz FVIPTKPVAFSURT-HBMCJLEFSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[NH+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001305619240 1068903021 /nfs/dbraw/zinc/90/30/21/1068903021.db2.gz FVIPTKPVAFSURT-HBMCJLEFSA-N 2 1 456.635 3.269 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001305622445 1068910969 /nfs/dbraw/zinc/91/09/69/1068910969.db2.gz RGTIPWGPMOLLQB-PMACEKPBSA-N 2 1 473.691 3.065 20 0 JGADMP 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 1068916369 /nfs/dbraw/zinc/91/63/69/1068916369.db2.gz XCAMAJRPLUOOLI-NJYVYQBISA-N 2 1 489.709 3.454 20 0 JGADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001305670578 1069016666 /nfs/dbraw/zinc/01/66/66/1069016666.db2.gz LHMQMNJWAHGJKL-GJZUVCINSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670578 1069016679 /nfs/dbraw/zinc/01/66/79/1069016679.db2.gz LHMQMNJWAHGJKL-GJZUVCINSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670578 1069016695 /nfs/dbraw/zinc/01/66/95/1069016695.db2.gz LHMQMNJWAHGJKL-GJZUVCINSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001305676217 1069029404 /nfs/dbraw/zinc/02/94/04/1069029404.db2.gz GDZFVBFRLOYCKB-WIOPSUGQSA-N 2 1 472.703 3.026 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305705564 1069094188 /nfs/dbraw/zinc/09/41/88/1069094188.db2.gz KYSDPAJMRRVPKF-NWSQWKLXSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305705564 1069094195 /nfs/dbraw/zinc/09/41/95/1069094195.db2.gz KYSDPAJMRRVPKF-NWSQWKLXSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001305708821 1069101925 /nfs/dbraw/zinc/10/19/25/1069101925.db2.gz YOKNUAQRGORKFQ-HYBUGGRVSA-N 2 1 471.694 3.340 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC001305714234 1069117771 /nfs/dbraw/zinc/11/77/71/1069117771.db2.gz ZWPNSGHSPHVCAF-YADHBBJMSA-N 2 1 459.683 3.050 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001305738045 1069161414 /nfs/dbraw/zinc/16/14/14/1069161414.db2.gz KUVIAELVUGXLKO-VQTJNVASSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305738045 1069161422 /nfs/dbraw/zinc/16/14/22/1069161422.db2.gz KUVIAELVUGXLKO-VQTJNVASSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+](C)C1CCCCC1 ZINC001305738045 1069161428 /nfs/dbraw/zinc/16/14/28/1069161428.db2.gz KUVIAELVUGXLKO-VQTJNVASSA-N 2 1 461.699 3.380 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC[NH+]1CCCC1 ZINC001305782896 1069275866 /nfs/dbraw/zinc/27/58/66/1069275866.db2.gz SLEPOENPNQKKAF-LJQANCHMSA-N 2 1 473.691 3.237 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001305785166 1069284610 /nfs/dbraw/zinc/28/46/10/1069284610.db2.gz IKJGYHSELGZJGH-QFIPXVFZSA-N 2 1 459.683 3.136 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305785868 1069288438 /nfs/dbraw/zinc/28/84/38/1069288438.db2.gz QTXJPDMNBKBGDL-FQEVSTJZSA-N 2 1 473.710 3.382 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001305786932 1069292494 /nfs/dbraw/zinc/29/24/94/1069292494.db2.gz ZJSRTTPPIGYLMY-UGKGYDQZSA-N 2 1 461.699 3.237 20 0 JGADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164614696 719017446 /nfs/dbraw/zinc/01/74/46/719017446.db2.gz GEPCALUDYNWOOF-FPAYPSAMSA-N 2 1 469.655 3.142 20 0 JGADMP CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)CC1 ZINC001164614095 719025370 /nfs/dbraw/zinc/02/53/70/719025370.db2.gz NENDAPJRQAVUJW-UHFFFAOYSA-N 2 1 463.626 3.279 20 0 JGADMP CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)CC1 ZINC001164614095 719025373 /nfs/dbraw/zinc/02/53/73/719025373.db2.gz NENDAPJRQAVUJW-UHFFFAOYSA-N 2 1 463.626 3.279 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164680140 719638851 /nfs/dbraw/zinc/63/88/51/719638851.db2.gz PRDMXFWIQXCJOL-UHFFFAOYSA-N 2 1 495.697 3.074 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164680140 719638854 /nfs/dbraw/zinc/63/88/54/719638854.db2.gz PRDMXFWIQXCJOL-UHFFFAOYSA-N 2 1 495.697 3.074 20 0 JGADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689352 719739333 /nfs/dbraw/zinc/73/93/33/719739333.db2.gz CEQUGBYOYFNCDI-UHFFFAOYSA-N 2 1 456.660 3.085 20 0 JGADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164689352 719739336 /nfs/dbraw/zinc/73/93/36/719739336.db2.gz CEQUGBYOYFNCDI-UHFFFAOYSA-N 2 1 456.660 3.085 20 0 JGADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689370 719743300 /nfs/dbraw/zinc/74/33/00/719743300.db2.gz DAHFXHRBRZAOGJ-UHFFFAOYSA-N 2 1 482.698 3.347 20 0 JGADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689370 719743325 /nfs/dbraw/zinc/74/33/25/719743325.db2.gz DAHFXHRBRZAOGJ-UHFFFAOYSA-N 2 1 482.698 3.347 20 0 JGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164715622 720204292 /nfs/dbraw/zinc/20/42/92/720204292.db2.gz LHUZJZIRHBCQSH-LADGPHEKSA-N 2 1 467.662 3.363 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1C[NH+]1CC[C@H](CO)C1 ZINC001164729288 720415985 /nfs/dbraw/zinc/41/59/85/720415985.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[NH+]3Cc2cccnc2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164729288 720415987 /nfs/dbraw/zinc/41/59/87/720415987.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 2 1 492.668 3.129 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CC[NH+]3Cc2cccnc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164729288 720415990 /nfs/dbraw/zinc/41/59/90/720415990.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 2 1 492.668 3.129 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737859 720762556 /nfs/dbraw/zinc/76/25/56/720762556.db2.gz DCRYEZOVVLGDNB-RBUKOAKNSA-N 2 1 465.627 3.036 20 0 JGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737859 720762561 /nfs/dbraw/zinc/76/25/61/720762561.db2.gz DCRYEZOVVLGDNB-RBUKOAKNSA-N 2 1 465.627 3.036 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752539 720901135 /nfs/dbraw/zinc/90/11/35/720901135.db2.gz FBCNZGBPJXXPEJ-UFHPHHKVSA-N 3 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164752539 720901142 /nfs/dbraw/zinc/90/11/42/720901142.db2.gz FBCNZGBPJXXPEJ-UFHPHHKVSA-N 2 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164752539 720901154 /nfs/dbraw/zinc/90/11/54/720901154.db2.gz FBCNZGBPJXXPEJ-UFHPHHKVSA-N 2 1 476.669 3.159 20 0 JGADMP 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 721248032 /nfs/dbraw/zinc/24/80/32/721248032.db2.gz RPUNKQYSTRRVQJ-RTBURBONSA-N 2 1 462.976 3.348 20 0 JGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164786805 721455092 /nfs/dbraw/zinc/45/50/92/721455092.db2.gz NRYZGXWMVMWTSO-NRFANRHFSA-N 2 1 478.081 3.331 20 0 JGADMP c1ccc(C[N@H+]2CCc3nc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@@H]45)c4ncccn4)ccc3C2)cc1 ZINC001164793276 721483952 /nfs/dbraw/zinc/48/39/52/721483952.db2.gz UBTWRSPIHGKRFD-OYRHQHFDSA-N 2 1 456.594 3.193 20 0 JGADMP CC[C@H](Cn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001305850769 1069403594 /nfs/dbraw/zinc/40/35/94/1069403594.db2.gz RYJGUMYWTJAZIX-PKTZIBPZSA-N 2 1 484.689 3.012 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298236379 1064142243 /nfs/dbraw/zinc/14/22/43/1064142243.db2.gz TZRLIDZRLMDLDX-UHFFFAOYSA-N 2 1 471.694 3.200 20 0 JGADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001298236379 1064142249 /nfs/dbraw/zinc/14/22/49/1064142249.db2.gz TZRLIDZRLMDLDX-UHFFFAOYSA-N 2 1 471.694 3.200 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728225 1064540054 /nfs/dbraw/zinc/54/00/54/1064540054.db2.gz NWUKZCZTMQWWIH-QHCPKHFHSA-N 2 1 483.636 3.273 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728225 1064540064 /nfs/dbraw/zinc/54/00/64/1064540064.db2.gz NWUKZCZTMQWWIH-QHCPKHFHSA-N 2 1 483.636 3.273 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728222 1064540152 /nfs/dbraw/zinc/54/01/52/1064540152.db2.gz NWUKZCZTMQWWIH-HSZRJFAPSA-N 2 1 483.636 3.273 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001298728222 1064540168 /nfs/dbraw/zinc/54/01/68/1064540168.db2.gz NWUKZCZTMQWWIH-HSZRJFAPSA-N 2 1 483.636 3.273 20 0 JGADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298728549 1064542168 /nfs/dbraw/zinc/54/21/68/1064542168.db2.gz WMRYKYPJTHCHIL-NRFANRHFSA-N 2 1 461.054 3.486 20 0 JGADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001298728549 1064542184 /nfs/dbraw/zinc/54/21/84/1064542184.db2.gz WMRYKYPJTHCHIL-NRFANRHFSA-N 2 1 461.054 3.486 20 0 JGADMP COc1cc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C[C@@H](C)[NH+](C)C)ccc1OC(C)C ZINC001299844661 1065044042 /nfs/dbraw/zinc/04/40/42/1065044042.db2.gz UYCJHUSEKUPMLF-SBHAEUEKSA-N 2 1 456.635 3.364 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001492251178 1065352010 /nfs/dbraw/zinc/35/20/10/1065352010.db2.gz XEJMIKXXXZESAP-UHFFFAOYSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001492353195 1065414532 /nfs/dbraw/zinc/41/45/32/1065414532.db2.gz UCSHCVWDOZWWKV-AREMUKBSSA-N 2 1 470.662 3.054 20 0 JGADMP COC[C@@H](C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300979072 1065789290 /nfs/dbraw/zinc/78/92/90/1065789290.db2.gz UIXYQDRUSTYCLB-DEOSSOPVSA-N 2 1 497.732 3.236 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001302093892 1066521514 /nfs/dbraw/zinc/52/15/14/1066521514.db2.gz XRGIEVMEKLHTEK-ZLNRFVROSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001302093892 1066521527 /nfs/dbraw/zinc/52/15/27/1066521527.db2.gz XRGIEVMEKLHTEK-ZLNRFVROSA-N 2 1 462.683 3.045 20 0 JGADMP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001302093892 1066521536 /nfs/dbraw/zinc/52/15/36/1066521536.db2.gz XRGIEVMEKLHTEK-ZLNRFVROSA-N 2 1 462.683 3.045 20 0 JGADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708029 1066598957 /nfs/dbraw/zinc/59/89/57/1066598957.db2.gz GZFLWUPBRSVHHV-ZJSXRUAMSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708029 1066598968 /nfs/dbraw/zinc/59/89/68/1066598968.db2.gz GZFLWUPBRSVHHV-ZJSXRUAMSA-N 2 1 473.710 3.045 20 0 JGADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCCC3)C[C@H]2C)CC1 ZINC001301708029 1066598983 /nfs/dbraw/zinc/59/89/83/1066598983.db2.gz GZFLWUPBRSVHHV-ZJSXRUAMSA-N 2 1 473.710 3.045 20 0 JGADMP COCC[N@@H+](C)CCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301712998 1066610474 /nfs/dbraw/zinc/61/04/74/1066610474.db2.gz IACCEDQDMLBOFC-UHFFFAOYSA-N 2 1 465.646 3.300 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301722009 1066628939 /nfs/dbraw/zinc/62/89/39/1066628939.db2.gz MNYXOCPWFBNZAW-UHFFFAOYSA-N 2 1 497.457 3.392 20 0 JGADMP COCC[N@@H+](C)CCCn1c(Cc2ccccc2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001301723752 1066635338 /nfs/dbraw/zinc/63/53/38/1066635338.db2.gz YHDFDWPLFGXGAQ-UHFFFAOYSA-N 2 1 456.679 3.456 20 0 JGADMP COCC[NH+](C)CCCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301723752 1066635344 /nfs/dbraw/zinc/63/53/44/1066635344.db2.gz YHDFDWPLFGXGAQ-UHFFFAOYSA-N 2 1 456.679 3.456 20 0 JGADMP COCC[NH+](C)CCCn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001301723752 1066635350 /nfs/dbraw/zinc/63/53/50/1066635350.db2.gz YHDFDWPLFGXGAQ-UHFFFAOYSA-N 2 1 456.679 3.456 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001301727640 1066645136 /nfs/dbraw/zinc/64/51/36/1066645136.db2.gz IFFGPIYZWZDIIH-UHFFFAOYSA-N 2 1 470.662 3.233 20 0 JGADMP COCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001301732130 1066652134 /nfs/dbraw/zinc/65/21/34/1066652134.db2.gz RFLFFMZJLPQPHX-UHFFFAOYSA-N 2 1 467.618 3.099 20 0 JGADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001301768798 1066712426 /nfs/dbraw/zinc/71/24/26/1066712426.db2.gz YTFWNBCQQSWPSZ-ISKFKSNPSA-N 2 1 473.710 3.047 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001301874591 1066875567 /nfs/dbraw/zinc/87/55/67/1066875567.db2.gz JXCYBSCHCHGINJ-FPOVZHCZSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001301874591 1066875572 /nfs/dbraw/zinc/87/55/72/1066875572.db2.gz JXCYBSCHCHGINJ-FPOVZHCZSA-N 2 1 460.692 3.489 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001301874565 1066875730 /nfs/dbraw/zinc/87/57/30/1066875730.db2.gz NORMDTGLMIWMJP-UHFFFAOYSA-N 2 1 454.663 3.378 20 0 JGADMP COCC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301875142 1066876291 /nfs/dbraw/zinc/87/62/91/1066876291.db2.gz RZRODVKNQFHNCK-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301875142 1066876295 /nfs/dbraw/zinc/87/62/95/1066876295.db2.gz RZRODVKNQFHNCK-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301875142 1066876300 /nfs/dbraw/zinc/87/63/00/1066876300.db2.gz RZRODVKNQFHNCK-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001301875142 1066876305 /nfs/dbraw/zinc/87/63/05/1066876305.db2.gz RZRODVKNQFHNCK-NZQKXSOJSA-N 2 1 497.688 3.036 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001301877185 1066879000 /nfs/dbraw/zinc/87/90/00/1066879000.db2.gz JZGAAVBOSZQXIM-SJBKTWHCSA-N 2 1 458.651 3.142 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001301877253 1066879735 /nfs/dbraw/zinc/87/97/35/1066879735.db2.gz LENUNPDFJKVCFG-HSZRJFAPSA-N 2 1 468.646 3.065 20 0 JGADMP COCC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001301877253 1066879745 /nfs/dbraw/zinc/87/97/45/1066879745.db2.gz LENUNPDFJKVCFG-HSZRJFAPSA-N 2 1 468.646 3.065 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001301882391 1066890478 /nfs/dbraw/zinc/89/04/78/1066890478.db2.gz OTXXBTVVTREVJD-UHFFFAOYSA-N 2 1 479.467 3.064 20 0 JGADMP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302303611 1066891056 /nfs/dbraw/zinc/89/10/56/1066891056.db2.gz JYMGQDIERFNWLI-VJBWXMMDSA-N 2 1 462.683 3.045 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001301887014 1066899123 /nfs/dbraw/zinc/89/91/23/1066899123.db2.gz FYSDCMNKRURJNC-CVEARBPZSA-N 2 1 455.434 3.359 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001301889141 1066906006 /nfs/dbraw/zinc/90/60/06/1066906006.db2.gz UWAXOSWVJDYYHN-HXUWFJFHSA-N 2 1 458.994 3.263 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001301895835 1066916502 /nfs/dbraw/zinc/91/65/02/1066916502.db2.gz APUHISMVAUVOMJ-FCHUYYIVSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001301895835 1066916514 /nfs/dbraw/zinc/91/65/14/1066916514.db2.gz APUHISMVAUVOMJ-FCHUYYIVSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001301895835 1066916528 /nfs/dbraw/zinc/91/65/28/1066916528.db2.gz APUHISMVAUVOMJ-FCHUYYIVSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001301895837 1066916577 /nfs/dbraw/zinc/91/65/77/1066916577.db2.gz APUHISMVAUVOMJ-VXKWHMMOSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001301895837 1066916587 /nfs/dbraw/zinc/91/65/87/1066916587.db2.gz APUHISMVAUVOMJ-VXKWHMMOSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001301895837 1066916591 /nfs/dbraw/zinc/91/65/91/1066916591.db2.gz APUHISMVAUVOMJ-VXKWHMMOSA-N 2 1 470.662 3.375 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001301897406 1066921503 /nfs/dbraw/zinc/92/15/03/1066921503.db2.gz VYUSRMSOGOUOJK-NRFANRHFSA-N 2 1 458.626 3.363 20 0 JGADMP COCC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001301902570 1066928229 /nfs/dbraw/zinc/92/82/29/1066928229.db2.gz YCSKDKZXRCUIKI-UHFFFAOYSA-N 2 1 453.635 3.314 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001301908254 1066932289 /nfs/dbraw/zinc/93/22/89/1066932289.db2.gz XRFFVRTYORZODB-HSZRJFAPSA-N 2 1 456.635 3.016 20 0 JGADMP COCC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001301908255 1066932438 /nfs/dbraw/zinc/93/24/38/1066932438.db2.gz XRFFVRTYORZODB-QHCPKHFHSA-N 2 1 456.635 3.016 20 0 JGADMP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001301911973 1066938561 /nfs/dbraw/zinc/93/85/61/1066938561.db2.gz JABYNOZOBJLWHK-VJBMBRPKSA-N 2 1 474.625 3.119 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001301918450 1066949214 /nfs/dbraw/zinc/94/92/14/1066949214.db2.gz CEKAARVMSAYAFS-ZCYQVOJMSA-N 2 1 468.690 3.455 20 0 JGADMP COCC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001301920000 1066952664 /nfs/dbraw/zinc/95/26/64/1066952664.db2.gz LTVJSUMOAHQHAT-NFBKMPQASA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920000 1066952675 /nfs/dbraw/zinc/95/26/75/1066952675.db2.gz LTVJSUMOAHQHAT-NFBKMPQASA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001301920000 1066952682 /nfs/dbraw/zinc/95/26/82/1066952682.db2.gz LTVJSUMOAHQHAT-NFBKMPQASA-N 2 1 472.653 3.285 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301921185 1066954528 /nfs/dbraw/zinc/95/45/28/1066954528.db2.gz RCJPOKNALSPLAF-CUNXSJBXSA-N 2 1 468.690 3.456 20 0 JGADMP COCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301921188 1066954750 /nfs/dbraw/zinc/95/47/50/1066954750.db2.gz RCJPOKNALSPLAF-WXVAWEFUSA-N 2 1 468.690 3.456 20 0 JGADMP COCC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001301928995 1066966280 /nfs/dbraw/zinc/96/62/80/1066966280.db2.gz YTWZLMFQEREDFH-UHFFFAOYSA-N 2 1 470.662 3.019 20 0 JGADMP CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001302518747 1067137940 /nfs/dbraw/zinc/13/79/40/1067137940.db2.gz IABPYOYNSUTUMT-QFIPXVFZSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001302519391 1067139600 /nfs/dbraw/zinc/13/96/00/1067139600.db2.gz NINGUFMCEVFKPS-JOCHJYFZSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001302519391 1067139604 /nfs/dbraw/zinc/13/96/04/1067139604.db2.gz NINGUFMCEVFKPS-JOCHJYFZSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001302519392 1067139671 /nfs/dbraw/zinc/13/96/71/1067139671.db2.gz NINGUFMCEVFKPS-QFIPXVFZSA-N 2 1 455.651 3.008 20 0 JGADMP CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC001302519392 1067139674 /nfs/dbraw/zinc/13/96/74/1067139674.db2.gz NINGUFMCEVFKPS-QFIPXVFZSA-N 2 1 455.651 3.008 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304171558 1067219271 /nfs/dbraw/zinc/21/92/71/1067219271.db2.gz RVYHQCMKNJDJAA-ILBGXUMGSA-N 2 1 484.689 3.361 20 0 JGADMP Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001304171558 1067219276 /nfs/dbraw/zinc/21/92/76/1067219276.db2.gz RVYHQCMKNJDJAA-ILBGXUMGSA-N 2 1 484.689 3.361 20 0 JGADMP CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC001302599041 1067235377 /nfs/dbraw/zinc/23/53/77/1067235377.db2.gz BGLBJWZVTMCTGD-UHFFFAOYSA-N 2 1 490.718 3.469 20 0 JGADMP CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[NH+](C)C ZINC001302802577 1067391227 /nfs/dbraw/zinc/39/12/27/1067391227.db2.gz FWEGRHWWXCYQQE-RPWUZVMVSA-N 2 1 481.689 3.201 20 0 JGADMP CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001302808849 1067396825 /nfs/dbraw/zinc/39/68/25/1067396825.db2.gz ROVAHCBWQLXKKJ-IRXDYDNUSA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001302808849 1067396837 /nfs/dbraw/zinc/39/68/37/1067396837.db2.gz ROVAHCBWQLXKKJ-IRXDYDNUSA-N 2 1 497.507 3.266 20 0 JGADMP CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817487 1067404692 /nfs/dbraw/zinc/40/46/92/1067404692.db2.gz DZADUZBEMAVMCP-GGAORHGYSA-N 2 1 458.626 3.220 20 0 JGADMP CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001302817489 1067404703 /nfs/dbraw/zinc/40/47/03/1067404703.db2.gz DZADUZBEMAVMCP-GMAHTHKFSA-N 2 1 458.626 3.220 20 0 JGADMP CC(C)C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC001302821427 1067410079 /nfs/dbraw/zinc/41/00/79/1067410079.db2.gz VXKKNHOBWVBLPA-DEOSSOPVSA-N 2 1 497.736 3.349 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001304378103 1067421727 /nfs/dbraw/zinc/42/17/27/1067421727.db2.gz OTQJAPOZHAHKHX-HHHXNRCGSA-N 2 1 497.688 3.036 20 0 JGADMP Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOCC[NH+](C)C)cc1C ZINC001304382575 1067431198 /nfs/dbraw/zinc/43/11/98/1067431198.db2.gz DQAHHDOCYLIKBX-UHFFFAOYSA-N 2 1 485.677 3.036 20 0 JGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4OC)C3)CC2)CC1 ZINC001304383546 1067432885 /nfs/dbraw/zinc/43/28/85/1067432885.db2.gz ZYFOGZBLDCXWLD-NRFANRHFSA-N 2 1 456.631 3.069 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001302857492 1067440485 /nfs/dbraw/zinc/44/04/85/1067440485.db2.gz UWHWAMIRSYRVBY-UHFFFAOYSA-N 2 1 498.716 3.029 20 0 JGADMP CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001302857492 1067440489 /nfs/dbraw/zinc/44/04/89/1067440489.db2.gz UWHWAMIRSYRVBY-UHFFFAOYSA-N 2 1 498.716 3.029 20 0 JGADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001302866738 1067447762 /nfs/dbraw/zinc/44/77/62/1067447762.db2.gz OWKLMSYBOGMQBS-JOCHJYFZSA-N 2 1 498.716 3.448 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2CC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905232 1067489702 /nfs/dbraw/zinc/48/97/02/1067489702.db2.gz HZYZVDSLGQLVOB-SZPZYZBQSA-N 2 1 463.630 3.018 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2CC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905232 1067489704 /nfs/dbraw/zinc/48/97/04/1067489704.db2.gz HZYZVDSLGQLVOB-SZPZYZBQSA-N 2 1 463.630 3.018 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905232 1067489708 /nfs/dbraw/zinc/48/97/08/1067489708.db2.gz HZYZVDSLGQLVOB-SZPZYZBQSA-N 2 1 463.630 3.018 20 0 JGADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001302905232 1067489711 /nfs/dbraw/zinc/48/97/11/1067489711.db2.gz HZYZVDSLGQLVOB-SZPZYZBQSA-N 2 1 463.630 3.018 20 0 JGADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905725 1067490954 /nfs/dbraw/zinc/49/09/54/1067490954.db2.gz VQWSOTABCXBGLM-DVKRWUGUSA-N 2 1 470.662 3.020 20 0 JGADMP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC001302905725 1067490957 /nfs/dbraw/zinc/49/09/57/1067490957.db2.gz VQWSOTABCXBGLM-DVKRWUGUSA-N 2 1 470.662 3.020 20 0 JGADMP CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001302948575 1067521965 /nfs/dbraw/zinc/52/19/65/1067521965.db2.gz XQSFRTVSUKFIDG-QHCPKHFHSA-N 2 1 454.663 3.012 20 0 JGADMP Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304506570 1067580243 /nfs/dbraw/zinc/58/02/43/1067580243.db2.gz IAFHXWGSLFAKGF-VWLOTQADSA-N 2 1 484.689 3.489 20 0 JGADMP 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 1067580581 /nfs/dbraw/zinc/58/05/81/1067580581.db2.gz OAZOWHPZUGATEB-ZLNRFVROSA-N 2 1 484.689 3.441 20 0 JGADMP CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303089731 1067625921 /nfs/dbraw/zinc/62/59/21/1067625921.db2.gz GWRNBHQCLUELLY-ZDXQCDESSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001303089731 1067625923 /nfs/dbraw/zinc/62/59/23/1067625923.db2.gz GWRNBHQCLUELLY-ZDXQCDESSA-N 2 1 476.710 3.086 20 0 JGADMP CC(C)C[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001303198633 1067734126 /nfs/dbraw/zinc/73/41/26/1067734126.db2.gz HJZWNWZQLWGUEH-QHCPKHFHSA-N 2 1 488.652 3.131 20 0 JGADMP CC(C)C[N@H+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001303203984 1067739925 /nfs/dbraw/zinc/73/99/25/1067739925.db2.gz IXYXZOJKJQQEFA-RUZDIDTESA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001303203984 1067739928 /nfs/dbraw/zinc/73/99/28/1067739928.db2.gz IXYXZOJKJQQEFA-RUZDIDTESA-N 2 1 483.705 3.177 20 0 JGADMP CC(C)C[NH+]1CCO[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001303203984 1067739934 /nfs/dbraw/zinc/73/99/34/1067739934.db2.gz IXYXZOJKJQQEFA-RUZDIDTESA-N 2 1 483.705 3.177 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cs1 ZINC001304674573 1067745388 /nfs/dbraw/zinc/74/53/88/1067745388.db2.gz RUHMNPJRSJYXEI-QFIPXVFZSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cs1 ZINC001304674573 1067745390 /nfs/dbraw/zinc/74/53/90/1067745390.db2.gz RUHMNPJRSJYXEI-QFIPXVFZSA-N 2 1 489.734 3.301 20 0 JGADMP Cc1[nH+]ccn1CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001304703898 1067776524 /nfs/dbraw/zinc/77/65/24/1067776524.db2.gz LNRMVAJQKADRSM-UHFFFAOYSA-N 2 1 484.674 3.175 20 0 JGADMP Cc1[nH+]ccn1CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001304703898 1067776530 /nfs/dbraw/zinc/77/65/30/1067776530.db2.gz LNRMVAJQKADRSM-UHFFFAOYSA-N 2 1 484.674 3.175 20 0 JGADMP CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001303254887 1067780466 /nfs/dbraw/zinc/78/04/66/1067780466.db2.gz OEPIYCQWYVBDBG-UHFFFAOYSA-N 2 1 481.689 3.210 20 0 JGADMP Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001304710060 1067781094 /nfs/dbraw/zinc/78/10/94/1067781094.db2.gz CDQIRVPHPHJGOJ-UHFFFAOYSA-N 2 1 475.439 3.218 20 0 JGADMP Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001304714271 1067785521 /nfs/dbraw/zinc/78/55/21/1067785521.db2.gz XUMGJGMBZHSWFM-UHFFFAOYSA-N 2 1 464.662 3.330 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001303263307 1067790710 /nfs/dbraw/zinc/79/07/10/1067790710.db2.gz AUCWUKXHHNAMKV-UHFFFAOYSA-N 2 1 466.609 3.317 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001303263307 1067790719 /nfs/dbraw/zinc/79/07/19/1067790719.db2.gz AUCWUKXHHNAMKV-UHFFFAOYSA-N 2 1 466.609 3.317 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001303263307 1067790728 /nfs/dbraw/zinc/79/07/28/1067790728.db2.gz AUCWUKXHHNAMKV-UHFFFAOYSA-N 2 1 466.609 3.317 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303263593 1067790829 /nfs/dbraw/zinc/79/08/29/1067790829.db2.gz PWLMOVZXEAXSFT-ZRZAMGCNSA-N 2 1 468.694 3.065 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303263593 1067790834 /nfs/dbraw/zinc/79/08/34/1067790834.db2.gz PWLMOVZXEAXSFT-ZRZAMGCNSA-N 2 1 468.694 3.065 20 0 JGADMP CC(C)[NH+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303263593 1067790839 /nfs/dbraw/zinc/79/08/39/1067790839.db2.gz PWLMOVZXEAXSFT-ZRZAMGCNSA-N 2 1 468.694 3.065 20 0 JGADMP CC(C)[N@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001303267982 1067795130 /nfs/dbraw/zinc/79/51/30/1067795130.db2.gz MDQBMIQKAFVHGN-UHFFFAOYSA-N 2 1 465.621 3.456 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001303267982 1067795136 /nfs/dbraw/zinc/79/51/36/1067795136.db2.gz MDQBMIQKAFVHGN-UHFFFAOYSA-N 2 1 465.621 3.456 20 0 JGADMP CC(C)[N@@H+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001303267914 1067795217 /nfs/dbraw/zinc/79/52/17/1067795217.db2.gz KABPDWZEPAEPGL-UHFFFAOYSA-N 2 1 452.651 3.167 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001303267914 1067795223 /nfs/dbraw/zinc/79/52/23/1067795223.db2.gz KABPDWZEPAEPGL-UHFFFAOYSA-N 2 1 452.651 3.167 20 0 JGADMP CC(C)[NH+](C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001303267914 1067795233 /nfs/dbraw/zinc/79/52/33/1067795233.db2.gz KABPDWZEPAEPGL-UHFFFAOYSA-N 2 1 452.651 3.167 20 0 JGADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001304725866 1067798341 /nfs/dbraw/zinc/79/83/41/1067798341.db2.gz LNMWTCCDAIQYMB-UHFFFAOYSA-N 2 1 470.710 3.414 20 0 JGADMP CC(C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001303274365 1067801624 /nfs/dbraw/zinc/80/16/24/1067801624.db2.gz DMIFDPCSHWKHNF-HSZRJFAPSA-N 2 1 462.683 3.189 20 0 JGADMP CC(C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001303275796 1067803440 /nfs/dbraw/zinc/80/34/40/1067803440.db2.gz HIGVZVWIWLJMIT-NZQKXSOJSA-N 2 1 458.699 3.460 20 0 JGADMP CC(C)[NH+](C)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001303275796 1067803448 /nfs/dbraw/zinc/80/34/48/1067803448.db2.gz HIGVZVWIWLJMIT-NZQKXSOJSA-N 2 1 458.699 3.460 20 0 JGADMP CC(C)[NH+](C)CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001303275796 1067803455 /nfs/dbraw/zinc/80/34/55/1067803455.db2.gz HIGVZVWIWLJMIT-NZQKXSOJSA-N 2 1 458.699 3.460 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304739429 1067813308 /nfs/dbraw/zinc/81/33/08/1067813308.db2.gz DTWZRDGGJURIPB-VWNXMTODSA-N 2 1 464.662 3.191 20 0 JGADMP CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001303291550 1067816045 /nfs/dbraw/zinc/81/60/45/1067816045.db2.gz JQSOKBPBKQFVJN-UHFFFAOYSA-N 2 1 473.710 3.189 20 0 JGADMP CC(C)[NH+](CCCn1c(C2CCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C(C)C ZINC001303291550 1067816054 /nfs/dbraw/zinc/81/60/54/1067816054.db2.gz JQSOKBPBKQFVJN-UHFFFAOYSA-N 2 1 473.710 3.189 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001303295388 1067819220 /nfs/dbraw/zinc/81/92/20/1067819220.db2.gz DHDICLLWTJRZFX-IBGZPJMESA-N 2 1 491.478 3.347 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001303295388 1067819227 /nfs/dbraw/zinc/81/92/27/1067819227.db2.gz DHDICLLWTJRZFX-IBGZPJMESA-N 2 1 491.478 3.347 20 0 JGADMP CC(C)[NH+]1CCC(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC001303297055 1067821404 /nfs/dbraw/zinc/82/14/04/1067821404.db2.gz HEUZDHRKALJKNQ-UHFFFAOYSA-N 2 1 459.727 3.445 20 0 JGADMP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001303316543 1067843653 /nfs/dbraw/zinc/84/36/53/1067843653.db2.gz CZUMTTIEAXRLMT-QHCPKHFHSA-N 2 1 459.727 3.445 20 0 JGADMP 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 1067843821 /nfs/dbraw/zinc/84/38/21/1067843821.db2.gz GPFDXQQCEZSHDO-FCHUYYIVSA-N 2 1 459.727 3.301 20 0 JGADMP Cc1cc(C)n(Cc2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304762853 1067850456 /nfs/dbraw/zinc/85/04/56/1067850456.db2.gz FFSLTZJQJQXZRR-HSZRJFAPSA-N 2 1 478.689 3.438 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001303405118 1067933304 /nfs/dbraw/zinc/93/33/04/1067933304.db2.gz IATKNIDRIGEKCX-OAQYLSRUSA-N 2 1 459.683 3.136 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001303404813 1067933353 /nfs/dbraw/zinc/93/33/53/1067933353.db2.gz CNQOEEHHQGZHCH-UHFFFAOYSA-N 2 1 481.689 3.393 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001303407181 1067934159 /nfs/dbraw/zinc/93/41/59/1067934159.db2.gz AZVMHMJDUSPRAK-JOCHJYFZSA-N 2 1 481.689 3.392 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001303410139 1067936545 /nfs/dbraw/zinc/93/65/45/1067936545.db2.gz QAXZHNPOGNJWAK-QFIPXVFZSA-N 2 1 483.705 3.495 20 0 JGADMP 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 1067953734 /nfs/dbraw/zinc/95/37/34/1067953734.db2.gz IZASEUSJXVARHQ-BDTNDASRSA-N 2 1 460.711 3.491 20 0 JGADMP 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 1067953816 /nfs/dbraw/zinc/95/38/16/1067953816.db2.gz IZASEUSJXVARHQ-BHIFYINESA-N 2 1 460.711 3.491 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001304923670 1067965442 /nfs/dbraw/zinc/96/54/42/1067965442.db2.gz FGTLREBZHXNQTM-OYRHEFFESA-N 2 1 454.667 3.414 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001304923670 1067965443 /nfs/dbraw/zinc/96/54/43/1067965443.db2.gz FGTLREBZHXNQTM-OYRHEFFESA-N 2 1 454.667 3.414 20 0 JGADMP C[C@@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001304923670 1067965444 /nfs/dbraw/zinc/96/54/44/1067965444.db2.gz FGTLREBZHXNQTM-OYRHEFFESA-N 2 1 454.667 3.414 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001304925438 1067969154 /nfs/dbraw/zinc/96/91/54/1067969154.db2.gz DCGVWSSVFPLDSX-XPWALMASSA-N 2 1 476.710 3.292 20 0 JGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001304925438 1067969157 /nfs/dbraw/zinc/96/91/57/1067969157.db2.gz DCGVWSSVFPLDSX-XPWALMASSA-N 2 1 476.710 3.292 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001304928066 1067975171 /nfs/dbraw/zinc/97/51/71/1067975171.db2.gz LWHQLFMSYASCAG-GOTSBHOMSA-N 2 1 483.705 3.179 20 0 JGADMP C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001304928066 1067975174 /nfs/dbraw/zinc/97/51/74/1067975174.db2.gz LWHQLFMSYASCAG-GOTSBHOMSA-N 2 1 483.705 3.179 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001303465388 1067984374 /nfs/dbraw/zinc/98/43/74/1067984374.db2.gz UPAFJXAPEALXHA-GOSISDBHSA-N 2 1 491.478 3.395 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001303465388 1067984381 /nfs/dbraw/zinc/98/43/81/1067984381.db2.gz UPAFJXAPEALXHA-GOSISDBHSA-N 2 1 491.478 3.395 20 0 JGADMP CC(C)[NH2+]C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001303467827 1067987175 /nfs/dbraw/zinc/98/71/75/1067987175.db2.gz KHAVFBBEDIFCJL-OAQYLSRUSA-N 2 1 487.718 3.357 20 0 JGADMP C[C@H]1CCC[C@@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989278 1068031451 /nfs/dbraw/zinc/03/14/51/1068031451.db2.gz RKSRBAGUKMCWAB-WXVAWEFUSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@H]1CCC[C@@](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989278 1068031461 /nfs/dbraw/zinc/03/14/61/1068031461.db2.gz RKSRBAGUKMCWAB-WXVAWEFUSA-N 2 1 483.705 3.321 20 0 JGADMP C[C@H]1CCC[C@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989915 1068032202 /nfs/dbraw/zinc/03/22/02/1068032202.db2.gz TUPZRVXNFQVMAG-CPJSRVTESA-N 2 1 457.667 3.331 20 0 JGADMP C[C@H]1CCC[C@](Cn2c(-c3ccc[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)([NH+](C)C)C1 ZINC001304989915 1068032217 /nfs/dbraw/zinc/03/22/17/1068032217.db2.gz TUPZRVXNFQVMAG-CPJSRVTESA-N 2 1 457.667 3.331 20 0 JGADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303503569 1068034768 /nfs/dbraw/zinc/03/47/68/1068034768.db2.gz SPLZRRQORPKQCH-RUZDIDTESA-N 2 1 462.683 3.114 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](Cc4ccccc4)C[C@H]3C)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001303505468 1068039036 /nfs/dbraw/zinc/03/90/36/1068039036.db2.gz KUKKVCFUJKZZTH-KCWPFWIISA-N 2 1 484.689 3.370 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CC[NH+](C)C(C)C)CCOC1 ZINC001303505468 1068039053 /nfs/dbraw/zinc/03/90/53/1068039053.db2.gz KUKKVCFUJKZZTH-KCWPFWIISA-N 2 1 484.689 3.370 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CC[NH+](C)C(C)C)CCOC1 ZINC001303505468 1068039068 /nfs/dbraw/zinc/03/90/68/1068039068.db2.gz KUKKVCFUJKZZTH-KCWPFWIISA-N 2 1 484.689 3.370 20 0 JGADMP C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305019711 1068066102 /nfs/dbraw/zinc/06/61/02/1068066102.db2.gz RGOQQKXWOZJZBI-VXKWHMMOSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@H]1CCCC[NH+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305019711 1068066116 /nfs/dbraw/zinc/06/61/16/1068066116.db2.gz RGOQQKXWOZJZBI-VXKWHMMOSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@H]1CCCC[NH+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305019711 1068066131 /nfs/dbraw/zinc/06/61/31/1068066131.db2.gz RGOQQKXWOZJZBI-VXKWHMMOSA-N 2 1 494.750 3.145 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001305042701 1068098571 /nfs/dbraw/zinc/09/85/71/1068098571.db2.gz KICDFIVSVCQGLW-HSZRJFAPSA-N 2 1 487.737 3.471 20 0 JGADMP C[C@@H]1CCC[N@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305046472 1068104437 /nfs/dbraw/zinc/10/44/37/1068104437.db2.gz JSJQLXGXQZCLCW-HXUWFJFHSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001305046472 1068104443 /nfs/dbraw/zinc/10/44/43/1068104443.db2.gz JSJQLXGXQZCLCW-HXUWFJFHSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@@H]1CCC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001305046472 1068104445 /nfs/dbraw/zinc/10/44/45/1068104445.db2.gz JSJQLXGXQZCLCW-HXUWFJFHSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@@H]1CCC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001305046472 1068104451 /nfs/dbraw/zinc/10/44/51/1068104451.db2.gz JSJQLXGXQZCLCW-HXUWFJFHSA-N 2 1 490.643 3.426 20 0 JGADMP C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305047431 1068105950 /nfs/dbraw/zinc/10/59/50/1068105950.db2.gz GNSASGMJUXFQTD-GNADVCDUSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305047431 1068105954 /nfs/dbraw/zinc/10/59/54/1068105954.db2.gz GNSASGMJUXFQTD-GNADVCDUSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H]1CCC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305047431 1068105955 /nfs/dbraw/zinc/10/59/55/1068105955.db2.gz GNSASGMJUXFQTD-GNADVCDUSA-N 2 1 490.737 3.474 20 0 JGADMP C[C@@H]1CCC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305047431 1068105957 /nfs/dbraw/zinc/10/59/57/1068105957.db2.gz GNSASGMJUXFQTD-GNADVCDUSA-N 2 1 490.737 3.474 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305063988 1068134556 /nfs/dbraw/zinc/13/45/56/1068134556.db2.gz JTCXQZHLMPTIPS-DHIUTWEWSA-N 2 1 481.689 3.247 20 0 JGADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305063991 1068134635 /nfs/dbraw/zinc/13/46/35/1068134635.db2.gz JTCXQZHLMPTIPS-XZOQPEGZSA-N 2 1 481.689 3.247 20 0 JGADMP 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 1068182797 /nfs/dbraw/zinc/18/27/97/1068182797.db2.gz CGUNWHUXDTWYFU-XPWALMASSA-N 2 1 489.753 3.068 20 0 JGADMP 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 1068189516 /nfs/dbraw/zinc/18/95/16/1068189516.db2.gz SKCQDSAPRDQWEX-YPAWHYETSA-N 2 1 476.710 3.371 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305113705 1068190574 /nfs/dbraw/zinc/19/05/74/1068190574.db2.gz VZTIVRRPUAFMTM-SZPZYZBQSA-N 2 1 469.678 3.072 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305113705 1068190578 /nfs/dbraw/zinc/19/05/78/1068190578.db2.gz VZTIVRRPUAFMTM-SZPZYZBQSA-N 2 1 469.678 3.072 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305113705 1068190582 /nfs/dbraw/zinc/19/05/82/1068190582.db2.gz VZTIVRRPUAFMTM-SZPZYZBQSA-N 2 1 469.678 3.072 20 0 JGADMP CC(C)O[C@@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(C)(C)C[NH+](C)C)CCOC1 ZINC001305134321 1068221715 /nfs/dbraw/zinc/22/17/15/1068221715.db2.gz DXHDEHKDHFJWLC-LVXARBLLSA-N 2 1 476.710 3.217 20 0 JGADMP CC(C)[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001305146706 1068248232 /nfs/dbraw/zinc/24/82/32/1068248232.db2.gz PMVDYHCFFLXVPT-PZJWPPBQSA-N 2 1 476.069 3.269 20 0 JGADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC001303705948 1068249900 /nfs/dbraw/zinc/24/99/00/1068249900.db2.gz PUPQMGFBIBDNLH-TXTKFYIRSA-N 2 1 450.635 3.118 20 0 JGADMP CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC001303707580 1068252770 /nfs/dbraw/zinc/25/27/70/1068252770.db2.gz JVQVMJKRPMXAQC-NRFANRHFSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001303707580 1068252778 /nfs/dbraw/zinc/25/27/78/1068252778.db2.gz JVQVMJKRPMXAQC-NRFANRHFSA-N 2 1 450.635 3.120 20 0 JGADMP CC(C)[NH+]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001303707580 1068252784 /nfs/dbraw/zinc/25/27/84/1068252784.db2.gz JVQVMJKRPMXAQC-NRFANRHFSA-N 2 1 450.635 3.120 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC001303736659 1068294748 /nfs/dbraw/zinc/29/47/48/1068294748.db2.gz NBWUZEFSEBJGIZ-HBMCJLEFSA-N 2 1 487.718 3.311 20 0 JGADMP C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC001303736661 1068295235 /nfs/dbraw/zinc/29/52/35/1068295235.db2.gz NBWUZEFSEBJGIZ-NJDAHSKKSA-N 2 1 487.718 3.311 20 0 JGADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCC[NH+](C)C ZINC001305219157 1068356247 /nfs/dbraw/zinc/35/62/47/1068356247.db2.gz AYZLUMCNALMCQG-WMZOPIPTSA-N 2 1 495.441 3.098 20 0 JGADMP 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 1068681082 /nfs/dbraw/zinc/68/10/82/1068681082.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001305447185 1068681084 /nfs/dbraw/zinc/68/10/84/1068681084.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001305447185 1068681089 /nfs/dbraw/zinc/68/10/89/1068681089.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001305447185 1068681092 /nfs/dbraw/zinc/68/10/92/1068681092.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001305447185 1068681094 /nfs/dbraw/zinc/68/10/94/1068681094.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001305447185 1068681096 /nfs/dbraw/zinc/68/10/96/1068681096.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001305447185 1068681099 /nfs/dbraw/zinc/68/10/99/1068681099.db2.gz YWCGESFFTIJKHQ-RJGXRXQPSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305456481 1068695721 /nfs/dbraw/zinc/69/57/21/1068695721.db2.gz FOEDTSQAHKAXQV-QPTUXGOLSA-N 2 1 453.679 3.311 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305456476 1068695858 /nfs/dbraw/zinc/69/58/58/1068695858.db2.gz FOEDTSQAHKAXQV-OEMFJLHTSA-N 2 1 453.679 3.311 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001305512493 1068755588 /nfs/dbraw/zinc/75/55/88/1068755588.db2.gz XVOUTTIGSLHOBV-PKTZIBPZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001305512493 1068755593 /nfs/dbraw/zinc/75/55/93/1068755593.db2.gz XVOUTTIGSLHOBV-PKTZIBPZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@@H]1CC ZINC001305512493 1068755600 /nfs/dbraw/zinc/75/56/00/1068755600.db2.gz XVOUTTIGSLHOBV-PKTZIBPZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCCC[C@@H]1CC ZINC001305512493 1068755604 /nfs/dbraw/zinc/75/56/04/1068755604.db2.gz XVOUTTIGSLHOBV-PKTZIBPZSA-N 2 1 473.710 3.191 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305540747 1068810501 /nfs/dbraw/zinc/81/05/01/1068810501.db2.gz FFXWKRSHVGKDNG-ZTCOLXNVSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001305541662 1068813005 /nfs/dbraw/zinc/81/30/05/1068813005.db2.gz YUFXWUXQINNWMJ-XZOQPEGZSA-N 2 1 453.679 3.140 20 0 JGADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305544335 1068820707 /nfs/dbraw/zinc/82/07/07/1068820707.db2.gz OWMIXMIEMRCHJB-RBBKRZOGSA-N 2 1 458.626 3.221 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001305609221 1068881204 /nfs/dbraw/zinc/88/12/04/1068881204.db2.gz SAEYSRSRYHONGA-VWNXMTODSA-N 2 1 483.705 3.289 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001305613955 1068890502 /nfs/dbraw/zinc/89/05/02/1068890502.db2.gz YFRMCKWMNSHOAZ-HXUWFJFHSA-N 2 1 453.660 3.497 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001305615607 1068893852 /nfs/dbraw/zinc/89/38/52/1068893852.db2.gz QIOIVJMOJKOIAO-JOCHJYFZSA-N 2 1 497.736 3.493 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001305615607 1068893860 /nfs/dbraw/zinc/89/38/60/1068893860.db2.gz QIOIVJMOJKOIAO-JOCHJYFZSA-N 2 1 497.736 3.493 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001305615607 1068893867 /nfs/dbraw/zinc/89/38/67/1068893867.db2.gz QIOIVJMOJKOIAO-JOCHJYFZSA-N 2 1 497.736 3.493 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001305616210 1068896026 /nfs/dbraw/zinc/89/60/26/1068896026.db2.gz UJLQRDKNNBOAEV-ZJZGAYNASA-N 2 1 475.726 3.245 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305617780 1068899516 /nfs/dbraw/zinc/89/95/16/1068899516.db2.gz ANZHQQXYSQLCKT-NHCUHLMSSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001305617780 1068899529 /nfs/dbraw/zinc/89/95/29/1068899529.db2.gz ANZHQQXYSQLCKT-NHCUHLMSSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001305617780 1068899536 /nfs/dbraw/zinc/89/95/36/1068899536.db2.gz ANZHQQXYSQLCKT-NHCUHLMSSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@@H](C)[NH+](C)CCn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001305617780 1068899547 /nfs/dbraw/zinc/89/95/47/1068899547.db2.gz ANZHQQXYSQLCKT-NHCUHLMSSA-N 2 1 458.676 3.130 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001305620509 1068905378 /nfs/dbraw/zinc/90/53/78/1068905378.db2.gz WOOUMDIMRSZPKI-QZNHQXDQSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001305620509 1068905383 /nfs/dbraw/zinc/90/53/83/1068905383.db2.gz WOOUMDIMRSZPKI-QZNHQXDQSA-N 2 1 470.662 3.404 20 0 JGADMP CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001305620505 1068905730 /nfs/dbraw/zinc/90/57/30/1068905730.db2.gz LONOPXSVBKPUCH-PMACEKPBSA-N 2 1 473.691 3.076 20 0 JGADMP CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001305620505 1068905736 /nfs/dbraw/zinc/90/57/36/1068905736.db2.gz LONOPXSVBKPUCH-PMACEKPBSA-N 2 1 473.691 3.076 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305621508 1068908083 /nfs/dbraw/zinc/90/80/83/1068908083.db2.gz ZNPVPDBBHQVZOO-WOJBJXKFSA-N 2 1 476.616 3.178 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001305621508 1068908088 /nfs/dbraw/zinc/90/80/88/1068908088.db2.gz ZNPVPDBBHQVZOO-WOJBJXKFSA-N 2 1 476.616 3.178 20 0 JGADMP 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 1068908444 /nfs/dbraw/zinc/90/84/44/1068908444.db2.gz MSBZNFZPCGUFCG-MOUTVQLLSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621590 1068908452 /nfs/dbraw/zinc/90/84/52/1068908452.db2.gz MSBZNFZPCGUFCG-MOUTVQLLSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001305621590 1068908463 /nfs/dbraw/zinc/90/84/63/1068908463.db2.gz MSBZNFZPCGUFCG-MOUTVQLLSA-N 2 1 489.753 3.143 20 0 JGADMP CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001305622449 1068911220 /nfs/dbraw/zinc/91/12/20/1068911220.db2.gz RGTIPWGPMOLLQB-UXHICEINSA-N 2 1 473.691 3.065 20 0 JGADMP CC[C@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001305667250 1069010885 /nfs/dbraw/zinc/01/08/85/1069010885.db2.gz WTMKYYXEHOYLNC-OZXSUGGESA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001305667250 1069010894 /nfs/dbraw/zinc/01/08/94/1069010894.db2.gz WTMKYYXEHOYLNC-OZXSUGGESA-N 2 1 454.663 3.461 20 0 JGADMP CC[C@@H](c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001305670576 1069016893 /nfs/dbraw/zinc/01/68/93/1069016893.db2.gz LHMQMNJWAHGJKL-ATIYNZHBSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670576 1069016907 /nfs/dbraw/zinc/01/69/07/1069016907.db2.gz LHMQMNJWAHGJKL-ATIYNZHBSA-N 2 1 454.663 3.197 20 0 JGADMP CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@]1(O)CC[NH+](C)C1)c1ccccc1 ZINC001305670576 1069016920 /nfs/dbraw/zinc/01/69/20/1069016920.db2.gz LHMQMNJWAHGJKL-ATIYNZHBSA-N 2 1 454.663 3.197 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305705565 1069093828 /nfs/dbraw/zinc/09/38/28/1069093828.db2.gz KYSDPAJMRRVPKF-RRPUWOKSSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001305705565 1069093845 /nfs/dbraw/zinc/09/38/45/1069093845.db2.gz KYSDPAJMRRVPKF-RRPUWOKSSA-N 2 1 488.652 3.444 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCn1cc[nH+]c1C ZINC001305776577 1069260567 /nfs/dbraw/zinc/26/05/67/1069260567.db2.gz OIBTWKQIGITXFJ-UHFFFAOYSA-N 2 1 478.645 3.114 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCn1cc[nH+]c1C ZINC001305776577 1069260579 /nfs/dbraw/zinc/26/05/79/1069260579.db2.gz OIBTWKQIGITXFJ-UHFFFAOYSA-N 2 1 478.645 3.114 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001305786142 1069289035 /nfs/dbraw/zinc/28/90/35/1069289035.db2.gz RCSBTMNBYTZLMU-DENIHFKCSA-N 2 1 455.651 3.030 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001305786143 1069289151 /nfs/dbraw/zinc/28/91/51/1069289151.db2.gz RCSBTMNBYTZLMU-KNQAVFIVSA-N 2 1 455.651 3.030 20 0 JGADMP CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001305786930 1069292043 /nfs/dbraw/zinc/29/20/43/1069292043.db2.gz ZJSRTTPPIGYLMY-SIKLNZKXSA-N 2 1 461.699 3.237 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164389140 718815086 /nfs/dbraw/zinc/81/50/86/718815086.db2.gz UGEGZIFYFKOZHE-DYESRHJHSA-N 2 1 497.606 3.391 20 0 JGADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164389140 718815091 /nfs/dbraw/zinc/81/50/91/718815091.db2.gz UGEGZIFYFKOZHE-DYESRHJHSA-N 2 1 497.606 3.391 20 0 JGADMP OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c31)C2 ZINC001164402607 718853594 /nfs/dbraw/zinc/85/35/94/718853594.db2.gz GNWAXBZLHGMTKY-WAIKUNEKSA-N 2 1 455.653 3.424 20 0 JGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4Cc5ncnn5C5(CC[NH2+]CC5)C4)c23)C1 ZINC001164416133 718885574 /nfs/dbraw/zinc/88/55/74/718885574.db2.gz SFKBHIDISHWMBN-QGZVFWFLSA-N 2 1 478.670 3.102 20 0 JGADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4Cc5ncnn5C5(CC[NH2+]CC5)C4)c23)C1 ZINC001164414959 718885663 /nfs/dbraw/zinc/88/56/63/718885663.db2.gz BLIIBXGRROLEBZ-SFHVURJKSA-N 2 1 492.697 3.492 20 0 JGADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)NCCSCc2ccco2)c2c1CC[NH2+]C2 ZINC001164683598 719629894 /nfs/dbraw/zinc/62/98/94/719629894.db2.gz TYEAPOXGXGEYQF-UHFFFAOYSA-N 2 1 468.627 3.009 20 0 JGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)NCCSCc2ccco2)c2c1CC[NH2+]C2 ZINC001164683598 719629901 /nfs/dbraw/zinc/62/99/01/719629901.db2.gz TYEAPOXGXGEYQF-UHFFFAOYSA-N 2 1 468.627 3.009 20 0 JGADMP COC(OC)c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684804 719632262 /nfs/dbraw/zinc/63/22/62/719632262.db2.gz XUDCVKGLKGHCMJ-UHFFFAOYSA-N 2 1 458.607 3.029 20 0 JGADMP COC(OC)c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684804 719632271 /nfs/dbraw/zinc/63/22/71/719632271.db2.gz XUDCVKGLKGHCMJ-UHFFFAOYSA-N 2 1 458.607 3.029 20 0 JGADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683437 719671337 /nfs/dbraw/zinc/67/13/37/719671337.db2.gz RWXUWBGOURXJSG-NRFANRHFSA-N 2 1 490.652 3.171 20 0 JGADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CCC2 ZINC001164814787 720217811 /nfs/dbraw/zinc/21/78/11/720217811.db2.gz ZBXHMFAJRSHLHD-UHFFFAOYSA-N 2 1 472.637 3.447 20 0 JGADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001164814787 720217821 /nfs/dbraw/zinc/21/78/21/720217821.db2.gz ZBXHMFAJRSHLHD-UHFFFAOYSA-N 2 1 472.637 3.447 20 0 JGADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCC2 ZINC001164814787 720217826 /nfs/dbraw/zinc/21/78/26/720217826.db2.gz ZBXHMFAJRSHLHD-UHFFFAOYSA-N 2 1 472.637 3.447 20 0 JGADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164840365 720702712 /nfs/dbraw/zinc/70/27/12/720702712.db2.gz PZGJBGZSUGMQIB-QHCPKHFHSA-N 2 1 479.625 3.126 20 0 JGADMP COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)CC1 ZINC001164840365 720702718 /nfs/dbraw/zinc/70/27/18/720702718.db2.gz PZGJBGZSUGMQIB-QHCPKHFHSA-N 2 1 479.625 3.126 20 0 JGADMP c1ncc(O[C@H]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)cn1 ZINC001164741848 720764874 /nfs/dbraw/zinc/76/48/74/720764874.db2.gz NDETZTPBLYZWCB-OALUTQOASA-N 2 1 491.665 3.298 20 0 JGADMP c1ncc(O[C@H]2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741848 720764880 /nfs/dbraw/zinc/76/48/80/720764880.db2.gz NDETZTPBLYZWCB-OALUTQOASA-N 2 1 491.665 3.298 20 0 JGADMP c1ncc(O[C@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@@H+]3C2)cn1 ZINC001164741844 720765914 /nfs/dbraw/zinc/76/59/14/720765914.db2.gz NDETZTPBLYZWCB-MOPGFXCFSA-N 2 1 491.665 3.298 20 0 JGADMP c1ncc(O[C@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)CC[N@H+]3C2)cn1 ZINC001164741844 720765924 /nfs/dbraw/zinc/76/59/24/720765924.db2.gz NDETZTPBLYZWCB-MOPGFXCFSA-N 2 1 491.665 3.298 20 0 JGADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164859115 720875486 /nfs/dbraw/zinc/87/54/86/720875486.db2.gz LQFGNLINYBLDIR-LEWJYISDSA-N 2 1 473.687 3.468 20 0 JGADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1 ZINC001164859115 720875487 /nfs/dbraw/zinc/87/54/87/720875487.db2.gz LQFGNLINYBLDIR-LEWJYISDSA-N 2 1 473.687 3.468 20 0 JGADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164855533 720876323 /nfs/dbraw/zinc/87/63/23/720876323.db2.gz HDDLIGMDMCTABJ-PZJWPPBQSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164855533 720876324 /nfs/dbraw/zinc/87/63/24/720876324.db2.gz HDDLIGMDMCTABJ-PZJWPPBQSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164855531 720876542 /nfs/dbraw/zinc/87/65/42/720876542.db2.gz HDDLIGMDMCTABJ-CTNGQTDRSA-N 2 1 485.698 3.339 20 0 JGADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164855531 720876548 /nfs/dbraw/zinc/87/65/48/720876548.db2.gz HDDLIGMDMCTABJ-CTNGQTDRSA-N 2 1 485.698 3.339 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754022 720879014 /nfs/dbraw/zinc/87/90/14/720879014.db2.gz QTQUJWFIUYWMSX-KDYSTLNUSA-N 2 1 490.608 3.285 20 0 JGADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164754022 720879016 /nfs/dbraw/zinc/87/90/16/720879016.db2.gz QTQUJWFIUYWMSX-KDYSTLNUSA-N 2 1 490.608 3.285 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]2)CC1 ZINC001164752537 720901668 /nfs/dbraw/zinc/90/16/68/720901668.db2.gz FBCNZGBPJXXPEJ-RBJSKKJNSA-N 3 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164752537 720901673 /nfs/dbraw/zinc/90/16/73/720901673.db2.gz FBCNZGBPJXXPEJ-RBJSKKJNSA-N 2 1 476.669 3.159 20 0 JGADMP [NH3+]C1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164752537 720901676 /nfs/dbraw/zinc/90/16/76/720901676.db2.gz FBCNZGBPJXXPEJ-RBJSKKJNSA-N 2 1 476.669 3.159 20 0 JGADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164778238 721343442 /nfs/dbraw/zinc/34/34/42/721343442.db2.gz LPXLLIAQNIGMDF-XMMPIXPASA-N 2 1 475.037 3.321 20 0 JGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164778238 721343449 /nfs/dbraw/zinc/34/34/49/721343449.db2.gz LPXLLIAQNIGMDF-XMMPIXPASA-N 2 1 475.037 3.321 20 0 JGADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH+]cc21 ZINC001164782990 721363969 /nfs/dbraw/zinc/36/39/69/721363969.db2.gz OTCVKSSRIOCDGM-RUZDIDTESA-N 2 1 467.570 3.463 20 0 JGADMP CCOC(=O)c1c[nH]c2cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH+]cc21 ZINC001164782992 721364494 /nfs/dbraw/zinc/36/44/94/721364494.db2.gz OTCVKSSRIOCDGM-VWLOTQADSA-N 2 1 467.570 3.463 20 0 JGADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(OCC4CC[NH2+]CC4)cn3)C2)C1 ZINC001164784574 721375841 /nfs/dbraw/zinc/37/58/41/721375841.db2.gz QIEUAVZJOYTKAI-SANMLTNESA-N 2 1 469.630 3.184 20 0 JGADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH+]cc21 ZINC001164791336 721465188 /nfs/dbraw/zinc/46/51/88/721465188.db2.gz XEAJCQAHOOSMPW-FQEVSTJZSA-N 2 1 470.614 3.474 20 0 JGADMP c1ccc(C[N@H+]2CCc3nc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@H]54)c4ncccn4)ccc3C2)cc1 ZINC001164793273 721484298 /nfs/dbraw/zinc/48/42/98/721484298.db2.gz UBTWRSPIHGKRFD-ARNLJNQMSA-N 2 1 456.594 3.193 20 0 JGADMP O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164952939 721991238 /nfs/dbraw/zinc/99/12/38/721991238.db2.gz RLAXWGKAAQZGEW-YIXXDRMTSA-N 2 1 496.677 3.240 20 0 JGADMP