smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164714662 720048973 /nfs/dbraw/zinc/04/89/73/720048973.db2.gz QSOGEUPOXNYSTI-UHFFFAOYSA-N 1 2 463.973 2.752 20 30 JFEDLO CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164828353 720356461 /nfs/dbraw/zinc/35/64/61/720356461.db2.gz OIZBRBZAGACEQA-UHFFFAOYSA-N 1 2 478.047 2.802 20 30 JFEDLO CSc1nc(Cl)c(C#N)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164828353 720356466 /nfs/dbraw/zinc/35/64/66/720356466.db2.gz OIZBRBZAGACEQA-UHFFFAOYSA-N 1 2 478.047 2.802 20 30 JFEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164831794 720469195 /nfs/dbraw/zinc/46/91/95/720469195.db2.gz QKEOKSMNGCKZAF-QGZVFWFLSA-N 1 2 466.973 2.946 20 30 JFEDLO Cc1ccc([C@H](C#N)c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912993 721770466 /nfs/dbraw/zinc/77/04/66/721770466.db2.gz SSZGVUMXMCXIHZ-RPLLCQBOSA-N 1 2 470.577 2.943 20 30 JFEDLO Cc1ccc([C@H](C#N)c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912993 721770473 /nfs/dbraw/zinc/77/04/73/721770473.db2.gz SSZGVUMXMCXIHZ-RPLLCQBOSA-N 1 2 470.577 2.943 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286279922 1060038056 /nfs/dbraw/zinc/03/80/56/1060038056.db2.gz RHHWINHEQHOGAO-MJGOQNOKSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286279922 1060038074 /nfs/dbraw/zinc/03/80/74/1060038074.db2.gz RHHWINHEQHOGAO-MJGOQNOKSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001286306740 1060059305 /nfs/dbraw/zinc/05/93/05/1060059305.db2.gz XLZGZJITOXJDPK-FDDCHVKYSA-N 1 2 459.591 2.662 20 30 JFEDLO C#CCCCCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286318341 1060079010 /nfs/dbraw/zinc/07/90/10/1060079010.db2.gz NFEPENCVLCHEHE-DEOSSOPVSA-N 1 2 450.631 2.980 20 30 JFEDLO C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286324354 1060083494 /nfs/dbraw/zinc/08/34/94/1060083494.db2.gz OSKBIMHBGDNSMU-NRFANRHFSA-N 1 2 473.618 2.835 20 30 JFEDLO C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001286324354 1060083514 /nfs/dbraw/zinc/08/35/14/1060083514.db2.gz OSKBIMHBGDNSMU-NRFANRHFSA-N 1 2 473.618 2.835 20 30 JFEDLO C#CCCCCn1c(N2CC[NH+](Cc3cnc(C)s3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001286336067 1060089769 /nfs/dbraw/zinc/08/97/69/1060089769.db2.gz VCASZTMVBBERKZ-QHCPKHFHSA-N 1 2 458.632 2.821 20 30 JFEDLO C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286339587 1060094682 /nfs/dbraw/zinc/09/46/82/1060094682.db2.gz OZDFHWSUCKKCTQ-KRWDZBQOSA-N 1 2 485.430 2.910 20 30 JFEDLO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286376006 1060138186 /nfs/dbraw/zinc/13/81/86/1060138186.db2.gz CEMCHMOLYJGBHF-FQEVSTJZSA-N 1 2 481.601 2.699 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286395819 1060257711 /nfs/dbraw/zinc/25/77/11/1060257711.db2.gz SLTYZEPFHQCUAU-ROUUACIJSA-N 1 2 463.673 2.858 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001286469568 1060358486 /nfs/dbraw/zinc/35/84/86/1060358486.db2.gz JAWYLAQXFFJNBA-UHFFFAOYSA-N 1 2 478.641 2.700 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2COCCC)CC1 ZINC001286469476 1060358706 /nfs/dbraw/zinc/35/87/06/1060358706.db2.gz GTAWJJAKIHMTPC-UHFFFAOYSA-N 1 2 473.581 2.656 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001286469835 1060359821 /nfs/dbraw/zinc/35/98/21/1060359821.db2.gz MZUQTVSYIBPJAM-FQEVSTJZSA-N 1 2 489.665 2.501 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC(=O)NC2CC2)CC1 ZINC001286471063 1060364863 /nfs/dbraw/zinc/36/48/63/1060364863.db2.gz GVJVCZDFALYSNT-GOSISDBHSA-N 1 2 471.005 2.886 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 ZINC001286472485 1060369680 /nfs/dbraw/zinc/36/96/80/1060369680.db2.gz UEZAFWHYKPKPJG-IBGZPJMESA-N 1 2 451.550 2.977 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001286472801 1060371162 /nfs/dbraw/zinc/37/11/62/1060371162.db2.gz LLBKILLAGLMCPH-RUZDIDTESA-N 1 2 471.577 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCc2nc(C)cs2)CC1 ZINC001286472968 1060372577 /nfs/dbraw/zinc/37/25/77/1060372577.db2.gz MRGKDSXPYNJBGT-DEOSSOPVSA-N 1 2 472.659 2.862 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2c(C)nn(C)c2C)CC1 ZINC001286473251 1060373814 /nfs/dbraw/zinc/37/38/14/1060373814.db2.gz JIUWJUGMNXRKQA-UHFFFAOYSA-N 1 2 498.429 2.870 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCOc2ncccc2Cl)CC1 ZINC001286473732 1060377404 /nfs/dbraw/zinc/37/74/04/1060377404.db2.gz SDBZHRBLJYQKOQ-UHFFFAOYSA-N 1 2 482.972 2.845 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2csc(CC)n2)CC1 ZINC001286474080 1060380138 /nfs/dbraw/zinc/38/01/38/1060380138.db2.gz ZSDOAUDGBAEIED-UHFFFAOYSA-N 1 2 482.610 2.793 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001286474491 1060383921 /nfs/dbraw/zinc/38/39/21/1060383921.db2.gz KRZWTXTXZPGSHO-UHFFFAOYSA-N 1 2 492.580 2.568 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001286474913 1060388032 /nfs/dbraw/zinc/38/80/32/1060388032.db2.gz NHTRRKVMGPHPFN-KRWDZBQOSA-N 1 2 473.419 2.768 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCc2nccnc2C)CC1 ZINC001286474841 1060388076 /nfs/dbraw/zinc/38/80/76/1060388076.db2.gz RDPZYSZTCQVUBY-UHFFFAOYSA-N 1 2 484.377 2.943 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001286475338 1060389547 /nfs/dbraw/zinc/38/95/47/1060389547.db2.gz XEQNSWFFGRRBGC-BTYIYWSLSA-N 1 2 494.821 2.656 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCCCC2=O)CC1 ZINC001286475389 1060390073 /nfs/dbraw/zinc/39/00/73/1060390073.db2.gz YJTMQLPSZFVQRG-UHFFFAOYSA-N 1 2 491.459 2.927 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2cccc(Br)n2)CC1 ZINC001286475849 1060391827 /nfs/dbraw/zinc/39/18/27/1060391827.db2.gz IEZHWYZHGZEFEM-UHFFFAOYSA-N 1 2 467.371 2.915 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001286476351 1060392399 /nfs/dbraw/zinc/39/23/99/1060392399.db2.gz UUNHCHKKLHLGSA-UHFFFAOYSA-N 1 2 470.503 2.930 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@](C)(O)c2ccco2)CC1 ZINC001286476403 1060392434 /nfs/dbraw/zinc/39/24/34/1060392434.db2.gz WOPVORZBAFQJPB-QFIPXVFZSA-N 1 2 470.371 2.964 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)CC1 ZINC001286478379 1060393877 /nfs/dbraw/zinc/39/38/77/1060393877.db2.gz FFVMGPNPPVDEOS-UHFFFAOYSA-N 1 2 473.568 2.736 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(CC)(CC)SC)CC1 ZINC001286478698 1060394270 /nfs/dbraw/zinc/39/42/70/1060394270.db2.gz FDWXHQSDPAMYRM-UHFFFAOYSA-N 1 2 479.654 2.869 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[C@@H](OC)C(CC)CC)CC1 ZINC001286478735 1060395095 /nfs/dbraw/zinc/39/50/95/1060395095.db2.gz FNMIQCXRBZVOBO-HSZRJFAPSA-N 1 2 491.640 2.789 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCOC(C)(C)C)CC1 ZINC001286479145 1060396107 /nfs/dbraw/zinc/39/61/07/1060396107.db2.gz KJTLIXUZFDWUGW-UHFFFAOYSA-N 1 2 477.613 2.806 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCCC)CC1 ZINC001286479676 1060397030 /nfs/dbraw/zinc/39/70/30/1060397030.db2.gz ITHZZAOZRVMGCS-OAQYLSRUSA-N 1 2 474.650 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001286480665 1060399402 /nfs/dbraw/zinc/39/94/02/1060399402.db2.gz OVYXYBSMBNUJBU-MOPGFXCFSA-N 1 2 494.587 2.572 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCC2)CC1 ZINC001286480921 1060399736 /nfs/dbraw/zinc/39/97/36/1060399736.db2.gz RAICPKDXGBDLPV-IBGZPJMESA-N 1 2 458.607 2.532 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001286480919 1060399897 /nfs/dbraw/zinc/39/98/97/1060399897.db2.gz RAGNMDGBSWGPPD-FQEVSTJZSA-N 1 2 468.568 2.592 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001286481426 1060402202 /nfs/dbraw/zinc/40/22/02/1060402202.db2.gz VOKUVLADRPHVRT-DENIHFKCSA-N 1 2 496.612 2.707 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001286481433 1060402226 /nfs/dbraw/zinc/40/22/26/1060402226.db2.gz VOKUVLADRPHVRT-UGKGYDQZSA-N 1 2 496.612 2.707 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001286481578 1060403246 /nfs/dbraw/zinc/40/32/46/1060403246.db2.gz GIFGHKNHCXIRQI-UHFFFAOYSA-N 1 2 492.628 2.529 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001286481951 1060404764 /nfs/dbraw/zinc/40/47/64/1060404764.db2.gz YVYRCIRHQMKBBE-FQEVSTJZSA-N 1 2 451.619 2.648 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001286483972 1060413239 /nfs/dbraw/zinc/41/32/39/1060413239.db2.gz BQHNMTNCTJWSIF-UHFFFAOYSA-N 1 2 480.613 2.788 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCc2ccc(OC)cc2)CC1 ZINC001286484159 1060414120 /nfs/dbraw/zinc/41/41/20/1060414120.db2.gz FAJBVLBCKQZXGN-UHFFFAOYSA-N 1 2 478.622 2.666 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001286484194 1060414178 /nfs/dbraw/zinc/41/41/78/1060414178.db2.gz FVAHIUSRFGHPQP-FQEVSTJZSA-N 1 2 493.612 2.739 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCc2cnn(C)n2)CC1 ZINC001286484249 1060415281 /nfs/dbraw/zinc/41/52/81/1060415281.db2.gz GYZVLEAZLCZIOB-UHFFFAOYSA-N 1 2 476.629 2.671 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@](C)(OC)C2CC2)CC1 ZINC001286485021 1060421459 /nfs/dbraw/zinc/42/14/59/1060421459.db2.gz ANSVOPNXVRQKEE-NNPDTBDGSA-N 1 2 472.634 2.619 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSCc2ccc(C)cc2)CC1 ZINC001286485049 1060422098 /nfs/dbraw/zinc/42/20/98/1060422098.db2.gz BMOHUZNKKXWZQR-GOTSBHOMSA-N 1 2 469.655 2.999 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCNC(=O)C(C)C)CC1 ZINC001286485138 1060423172 /nfs/dbraw/zinc/42/31/72/1060423172.db2.gz VZJWTNREQLICLH-UHFFFAOYSA-N 1 2 466.630 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCOC2CCOCC2)CC1 ZINC001286485203 1060424263 /nfs/dbraw/zinc/42/42/63/1060424263.db2.gz XCCPMVUWGUILMC-UHFFFAOYSA-N 1 2 467.614 2.815 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2sc(C)nc2C)CC1 ZINC001286485688 1060428438 /nfs/dbraw/zinc/42/84/38/1060428438.db2.gz UUWWOLQCXLHLTL-KDURUIRLSA-N 1 2 485.658 2.926 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001286492871 1060500071 /nfs/dbraw/zinc/50/00/71/1060500071.db2.gz KLFSLZYXWITYNJ-RUZDIDTESA-N 1 2 492.668 2.824 20 30 JFEDLO C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286535339 1060572975 /nfs/dbraw/zinc/57/29/75/1060572975.db2.gz OFNVCFVLCWQZIA-AWEZNQCLSA-N 1 2 494.825 2.691 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286556200 1060625509 /nfs/dbraw/zinc/62/55/09/1060625509.db2.gz BNJROKWBSFFFNY-QPPBQGQZSA-N 1 2 455.603 2.627 20 30 JFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001286599528 1060700366 /nfs/dbraw/zinc/70/03/66/1060700366.db2.gz WPDNBEGJAZBIIX-DEOSSOPVSA-N 1 2 459.566 2.976 20 30 JFEDLO C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1)c1ccccc1 ZINC001286617121 1060731549 /nfs/dbraw/zinc/73/15/49/1060731549.db2.gz IJWIODKBBHNRGN-DHIUTWEWSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1)c1ccccc1 ZINC001286617121 1060731564 /nfs/dbraw/zinc/73/15/64/1060731564.db2.gz IJWIODKBBHNRGN-DHIUTWEWSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1)c1ccccc1 ZINC001286617126 1060731627 /nfs/dbraw/zinc/73/16/27/1060731627.db2.gz IJWIODKBBHNRGN-PKTZIBPZSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1)c1ccccc1 ZINC001286617126 1060731639 /nfs/dbraw/zinc/73/16/39/1060731639.db2.gz IJWIODKBBHNRGN-PKTZIBPZSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286621626 1060738372 /nfs/dbraw/zinc/73/83/72/1060738372.db2.gz LJOVRDUFDLXIGP-MRXNPFEDSA-N 1 2 464.401 2.879 20 30 JFEDLO C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286760795 1060887788 /nfs/dbraw/zinc/88/77/88/1060887788.db2.gz QFBXUCMRDHXTTK-UHFFFAOYSA-N 1 2 466.630 2.860 20 30 JFEDLO C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001286760795 1060887798 /nfs/dbraw/zinc/88/77/98/1060887798.db2.gz QFBXUCMRDHXTTK-UHFFFAOYSA-N 1 2 466.630 2.860 20 30 JFEDLO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286765204 1060891945 /nfs/dbraw/zinc/89/19/45/1060891945.db2.gz AHAQETOFXSXUDF-IBGZPJMESA-N 1 2 470.599 2.518 20 30 JFEDLO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001286770008 1060902094 /nfs/dbraw/zinc/90/20/94/1060902094.db2.gz KLMFXWVLXAZKTM-UHFFFAOYSA-N 1 2 459.392 2.638 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001286772927 1060907767 /nfs/dbraw/zinc/90/77/67/1060907767.db2.gz GTJGLWANVYSIPS-IBGZPJMESA-N 1 2 488.589 2.677 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286773299 1060908213 /nfs/dbraw/zinc/90/82/13/1060908213.db2.gz MWRWYYFBTLYTDZ-LEWJYISDSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286773299 1060908228 /nfs/dbraw/zinc/90/82/28/1060908228.db2.gz MWRWYYFBTLYTDZ-LEWJYISDSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286779713 1060920486 /nfs/dbraw/zinc/92/04/86/1060920486.db2.gz KHWBMCJOCCSAPA-KRWDZBQOSA-N 1 2 479.560 2.883 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286780695 1060924096 /nfs/dbraw/zinc/92/40/96/1060924096.db2.gz YWZSTIHPOFKELS-UHFFFAOYSA-N 1 2 469.496 2.570 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286801311 1060986019 /nfs/dbraw/zinc/98/60/19/1060986019.db2.gz XWWGWAWYCLSOEC-CVDCTZTESA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286801313 1060986215 /nfs/dbraw/zinc/98/62/15/1060986215.db2.gz XWWGWAWYCLSOEC-WMZHIEFXSA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286822919 1061060294 /nfs/dbraw/zinc/06/02/94/1061060294.db2.gz PGRBLZSTIMYAKC-UHFFFAOYSA-N 1 2 480.638 2.688 20 30 JFEDLO C=CCSCCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286836029 1061089227 /nfs/dbraw/zinc/08/92/27/1061089227.db2.gz FGOAMNDSRUGPJC-HSZRJFAPSA-N 1 2 458.632 2.960 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001286891436 1061360292 /nfs/dbraw/zinc/36/02/92/1061360292.db2.gz XMMOCIWUOHBEHU-LJQANCHMSA-N 1 2 483.592 2.851 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001286891435 1061360365 /nfs/dbraw/zinc/36/03/65/1061360365.db2.gz XMMOCIWUOHBEHU-IBGZPJMESA-N 1 2 483.592 2.851 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCC[C@H](Cc3ccc(C#N)cc3)C2)CC1 ZINC001286891450 1061361009 /nfs/dbraw/zinc/36/10/09/1061361009.db2.gz XSYFTVSWSMJWID-XMMPIXPASA-N 1 2 463.630 2.896 20 30 JFEDLO Cc1cccc(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)[nH+]1 ZINC001290002851 1061729168 /nfs/dbraw/zinc/72/91/68/1061729168.db2.gz JWEMTYNYZYCGTH-NRFANRHFSA-N 1 2 479.972 2.927 20 30 JFEDLO CC(C)n1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001286966777 1061741363 /nfs/dbraw/zinc/74/13/63/1061741363.db2.gz VRLRUDHQKUAXTQ-LJQANCHMSA-N 1 2 492.628 2.943 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286968732 1061744866 /nfs/dbraw/zinc/74/48/66/1061744866.db2.gz BIQNZULEKBROAI-SJORKVTESA-N 1 2 477.407 2.936 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286971174 1061748725 /nfs/dbraw/zinc/74/87/25/1061748725.db2.gz UMDMXRSTSZYBSR-LJQANCHMSA-N 1 2 472.553 2.605 20 30 JFEDLO CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001287085647 1062259201 /nfs/dbraw/zinc/25/92/01/1062259201.db2.gz FMDKLMMHCGXTCQ-PPGPUPIYSA-N 1 2 470.643 2.523 20 30 JFEDLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001290932608 1062808321 /nfs/dbraw/zinc/80/83/21/1062808321.db2.gz ZCFPFYAIJUITHO-KRWDZBQOSA-N 1 2 465.558 2.691 20 30 JFEDLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001290932608 1062808343 /nfs/dbraw/zinc/80/83/43/1062808343.db2.gz ZCFPFYAIJUITHO-KRWDZBQOSA-N 1 2 465.558 2.691 20 30 JFEDLO CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001295413543 1063413580 /nfs/dbraw/zinc/41/35/80/1063413580.db2.gz QSSHIRWNVZCSQI-OAQYLSRUSA-N 1 2 458.570 2.808 20 30 JFEDLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c[nH+]1 ZINC001295418237 1063423788 /nfs/dbraw/zinc/42/37/88/1063423788.db2.gz CXUPEIRISKSGRV-CVDCTZTESA-N 1 2 471.631 2.600 20 30 JFEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309091 1063733219 /nfs/dbraw/zinc/73/32/19/1063733219.db2.gz YIOCKJZTHKMUET-AQNXPRMDSA-N 1 2 475.638 2.852 20 30 JFEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309091 1063733233 /nfs/dbraw/zinc/73/32/33/1063733233.db2.gz YIOCKJZTHKMUET-AQNXPRMDSA-N 1 2 475.638 2.852 20 30 JFEDLO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001291337607 1063805160 /nfs/dbraw/zinc/80/51/60/1063805160.db2.gz CTJMIRZZHTYNLV-NRFANRHFSA-N 1 2 458.570 2.821 20 30 JFEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867331 1063902026 /nfs/dbraw/zinc/90/20/26/1063902026.db2.gz MJIBQHRSYBAXAK-SFTDATJTSA-N 1 2 450.930 2.781 20 30 JFEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867331 1063902042 /nfs/dbraw/zinc/90/20/42/1063902042.db2.gz MJIBQHRSYBAXAK-SFTDATJTSA-N 1 2 450.930 2.781 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001296132288 1064229278 /nfs/dbraw/zinc/22/92/78/1064229278.db2.gz AJSKMLJJKWHETC-LJQANCHMSA-N 1 2 455.582 2.762 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291998127 1064615889 /nfs/dbraw/zinc/61/58/89/1064615889.db2.gz XWIAJJQQCYDQMH-UHFFFAOYSA-N 1 2 467.618 2.815 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001291998127 1064615899 /nfs/dbraw/zinc/61/58/99/1064615899.db2.gz XWIAJJQQCYDQMH-UHFFFAOYSA-N 1 2 467.618 2.815 20 30 JFEDLO Cc1c(Cl)c(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164825361 720439392 /nfs/dbraw/zinc/43/93/92/720439392.db2.gz ROGKWUXDEBJKNW-OAHLLOKOSA-N 1 2 465.385 2.755 20 30 JFEDLO N#Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164947664 721980812 /nfs/dbraw/zinc/98/08/12/721980812.db2.gz IJMYVVRFVBNZLZ-UHFFFAOYSA-N 1 2 456.506 2.986 20 30 JFEDLO N#Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164947664 721980815 /nfs/dbraw/zinc/98/08/15/721980815.db2.gz IJMYVVRFVBNZLZ-UHFFFAOYSA-N 1 2 456.506 2.986 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286279912 1060038118 /nfs/dbraw/zinc/03/81/18/1060038118.db2.gz RHHWINHEQHOGAO-HKUYNNGSSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286279912 1060038138 /nfs/dbraw/zinc/03/81/38/1060038138.db2.gz RHHWINHEQHOGAO-HKUYNNGSSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286305235 1060057693 /nfs/dbraw/zinc/05/76/93/1060057693.db2.gz LSLQWFIABPBYPD-BIHRQFPBSA-N 1 2 467.614 2.842 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286305244 1060058154 /nfs/dbraw/zinc/05/81/54/1060058154.db2.gz LSLQWFIABPBYPD-XGAJZPNHSA-N 1 2 467.614 2.842 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286306744 1060059223 /nfs/dbraw/zinc/05/92/23/1060059223.db2.gz XLZGZJITOXJDPK-MBSDFSHPSA-N 1 2 459.591 2.662 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)c1 ZINC001286310637 1060067408 /nfs/dbraw/zinc/06/74/08/1060067408.db2.gz WUTLXKRKNCQCJN-UHFFFAOYSA-N 1 2 469.553 2.632 20 30 JFEDLO C#CCN(C)c1nnc([C@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286360823 1060121832 /nfs/dbraw/zinc/12/18/32/1060121832.db2.gz JLZZDNZNIWVYQO-IBGZPJMESA-N 1 2 473.021 2.922 20 30 JFEDLO C#CCN(C)c1nnc([C@@H](C)Oc2c(C)cc(Cl)cc2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286360825 1060121860 /nfs/dbraw/zinc/12/18/60/1060121860.db2.gz JLZZDNZNIWVYQO-LJQANCHMSA-N 1 2 473.021 2.922 20 30 JFEDLO C#CCN(C)c1nnc(CSc2ccccc2OC)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286382312 1060153932 /nfs/dbraw/zinc/15/39/32/1060153932.db2.gz YBUJEYAOCVEZRA-UHFFFAOYSA-N 1 2 464.595 2.928 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382427 1060155080 /nfs/dbraw/zinc/15/50/80/1060155080.db2.gz ATSOZULDWUJKCE-DENIHFKCSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382427 1060155090 /nfs/dbraw/zinc/15/50/90/1060155090.db2.gz ATSOZULDWUJKCE-DENIHFKCSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286395659 1060257196 /nfs/dbraw/zinc/25/71/96/1060257196.db2.gz SLTYZEPFHQCUAU-MSOLQXFVSA-N 1 2 463.673 2.858 20 30 JFEDLO C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286445043 1060332907 /nfs/dbraw/zinc/33/29/07/1060332907.db2.gz FOQPUXIYBSORLB-IBGZPJMESA-N 1 2 460.623 2.573 20 30 JFEDLO C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286445043 1060332928 /nfs/dbraw/zinc/33/29/28/1060332928.db2.gz FOQPUXIYBSORLB-IBGZPJMESA-N 1 2 460.623 2.573 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC001286469333 1060357914 /nfs/dbraw/zinc/35/79/14/1060357914.db2.gz DKRAAWLCPGAYQL-UHFFFAOYSA-N 1 2 480.613 2.658 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC)c(Cl)c2)CC1 ZINC001286470206 1060361818 /nfs/dbraw/zinc/36/18/18/1060361818.db2.gz UVOOEMFXPNZYQO-UHFFFAOYSA-N 1 2 458.994 2.662 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSC(F)(F)F)CC1 ZINC001286470252 1060362338 /nfs/dbraw/zinc/36/23/38/1060362338.db2.gz VRLLREIPIBVMJB-UHFFFAOYSA-N 1 2 486.951 2.870 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC2CCCCCC2)CC1 ZINC001286472803 1060370863 /nfs/dbraw/zinc/37/08/63/1060370863.db2.gz LMWHNQLORXSSOH-RUZDIDTESA-N 1 2 459.635 2.813 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001286473244 1060373950 /nfs/dbraw/zinc/37/39/50/1060373950.db2.gz JEXIUYWXUJTTEN-UHFFFAOYSA-N 1 2 498.628 2.975 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001286473348 1060374626 /nfs/dbraw/zinc/37/46/26/1060374626.db2.gz QYWPQIMORGZTLG-UHFFFAOYSA-N 1 2 485.430 2.721 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@](C)(O)CC)CC1 ZINC001286473357 1060374900 /nfs/dbraw/zinc/37/49/00/1060374900.db2.gz KYTPFAMKCJWRMH-NRFANRHFSA-N 1 2 462.392 2.632 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(CC)CCOCC2)CC1 ZINC001286473381 1060374933 /nfs/dbraw/zinc/37/49/33/1060374933.db2.gz LCVQBPQWMFBDLP-UHFFFAOYSA-N 1 2 483.613 2.933 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCn2cc(C)cn2)CC1 ZINC001286474151 1060381147 /nfs/dbraw/zinc/38/11/47/1060381147.db2.gz CMHICQDXLLPFHO-UHFFFAOYSA-N 1 2 472.366 2.807 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001286474445 1060383730 /nfs/dbraw/zinc/38/37/30/1060383730.db2.gz JVSCBOHDIMGEMN-VWLOTQADSA-N 1 2 453.587 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCCCC2=O)CC1 ZINC001286474560 1060384701 /nfs/dbraw/zinc/38/47/01/1060384701.db2.gz MNZDULOTQVKGEW-UHFFFAOYSA-N 1 2 471.005 2.765 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(OCCOC)CCOCC2)CC1 ZINC001286474570 1060385747 /nfs/dbraw/zinc/38/57/47/1060385747.db2.gz MSYLGUFLCZKQTR-UHFFFAOYSA-N 1 2 491.995 2.705 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC=CCO2)CC1 ZINC001286474736 1060386600 /nfs/dbraw/zinc/38/66/00/1060386600.db2.gz POAQUJUGDGWEKK-QGZVFWFLSA-N 1 2 460.351 2.947 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001286474811 1060387227 /nfs/dbraw/zinc/38/72/27/1060387227.db2.gz PYRQRUGAZXMQAO-IBGZPJMESA-N 1 2 467.492 2.685 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2Cc2cc(C)nn2C)CC1 ZINC001286474820 1060387410 /nfs/dbraw/zinc/38/74/10/1060387410.db2.gz QNNIEYFJALUDIU-UHFFFAOYSA-N 1 2 484.402 2.562 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC001286476628 1060393118 /nfs/dbraw/zinc/39/31/18/1060393118.db2.gz BEZJAFFNDBSQAM-UHFFFAOYSA-N 1 2 469.977 2.543 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)[C@@H](C)CCC)CC1 ZINC001286477080 1060393201 /nfs/dbraw/zinc/39/32/01/1060393201.db2.gz NROOMHZDGQWCRH-FQEVSTJZSA-N 1 2 461.614 2.744 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)[C@H](C)CCC)CC1 ZINC001286478957 1060395838 /nfs/dbraw/zinc/39/58/38/1060395838.db2.gz MKIDJVSNNNFKAS-LJQANCHMSA-N 1 2 457.022 2.830 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001286480366 1060398627 /nfs/dbraw/zinc/39/86/27/1060398627.db2.gz MLJPMPPGQGVDIU-IFMALSPDSA-N 1 2 486.661 2.699 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nc(C)cs2)CC1 ZINC001286480936 1060401130 /nfs/dbraw/zinc/40/11/30/1060401130.db2.gz RHFRWVNQEDRVSF-LJQANCHMSA-N 1 2 485.658 2.961 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001286481954 1060404781 /nfs/dbraw/zinc/40/47/81/1060404781.db2.gz YVYRCIRHQMKBBE-HXUWFJFHSA-N 1 2 451.619 2.648 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCC(=O)N(CC)CC)CC1 ZINC001286483496 1060409227 /nfs/dbraw/zinc/40/92/27/1060409227.db2.gz NIFZEVYESBRMKO-UHFFFAOYSA-N 1 2 461.614 2.754 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](OCC)C2CCCC2)CC1 ZINC001286483957 1060412200 /nfs/dbraw/zinc/41/22/00/1060412200.db2.gz BBPYCQBAVHPZNR-HSZRJFAPSA-N 1 2 453.635 2.880 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001286483927 1060412351 /nfs/dbraw/zinc/41/23/51/1060412351.db2.gz DRXSACDNBKLUSW-UHFFFAOYSA-N 1 2 470.927 2.760 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001286483960 1060413369 /nfs/dbraw/zinc/41/33/69/1060413369.db2.gz BGLHALJMVHXYFV-UHFFFAOYSA-N 1 2 473.581 2.631 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286484339 1060416169 /nfs/dbraw/zinc/41/61/69/1060416169.db2.gz MHFGZPYXRUUROZ-LJQANCHMSA-N 1 2 492.546 2.505 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nnc(CC)s2)CC1 ZINC001286484505 1060417145 /nfs/dbraw/zinc/41/71/45/1060417145.db2.gz LOLCTDHQLSHAJM-UHFFFAOYSA-N 1 2 451.600 2.691 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001286484515 1060417173 /nfs/dbraw/zinc/41/71/73/1060417173.db2.gz LROPCBQXIUZOBQ-UHFFFAOYSA-N 1 2 464.614 2.760 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286484471 1060417327 /nfs/dbraw/zinc/41/73/27/1060417327.db2.gz KYJNQZRXWVKFSP-HXUWFJFHSA-N 1 2 476.547 2.805 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001286484720 1060419378 /nfs/dbraw/zinc/41/93/78/1060419378.db2.gz NNUKRXHATQLMNB-UHFFFAOYSA-N 1 2 464.614 2.712 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccnc(SCC)c2)CC1 ZINC001286484965 1060421434 /nfs/dbraw/zinc/42/14/34/1060421434.db2.gz SETIUGAZNLRGMB-UHFFFAOYSA-N 1 2 481.651 2.580 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001286485108 1060422068 /nfs/dbraw/zinc/42/20/68/1060422068.db2.gz CTYIPUMJKUTDDO-BVFVYWQFSA-N 1 2 486.661 2.745 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOc2ncccc2F)CC1 ZINC001286485288 1060424351 /nfs/dbraw/zinc/42/43/51/1060424351.db2.gz IJUWANXWRJBWJX-FQEVSTJZSA-N 1 2 499.591 2.718 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](OC)C2CC2)CC1 ZINC001286485612 1060427639 /nfs/dbraw/zinc/42/76/39/1060427639.db2.gz RKOIZMZEORGQDB-PMACEKPBSA-N 1 2 458.607 2.530 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001286486074 1060431362 /nfs/dbraw/zinc/43/13/62/1060431362.db2.gz HGMMWIKVVXLAIQ-QHCPKHFHSA-N 1 2 478.641 2.615 20 30 JFEDLO C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286503181 1060526778 /nfs/dbraw/zinc/52/67/78/1060526778.db2.gz BGCVMXPOPTYFJF-IBGZPJMESA-N 1 2 470.618 2.584 20 30 JFEDLO C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286532721 1060569061 /nfs/dbraw/zinc/56/90/61/1060569061.db2.gz LCNMZGODDWKDGI-MRXNPFEDSA-N 1 2 459.392 2.643 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286551738 1060613329 /nfs/dbraw/zinc/61/33/29/1060613329.db2.gz IWZVFJRWBFBEDG-XXBNENTESA-N 1 2 471.602 2.712 20 30 JFEDLO C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001286633988 1060754643 /nfs/dbraw/zinc/75/46/43/1060754643.db2.gz OZZIZJOTEBJAKT-UHFFFAOYSA-N 1 2 453.591 2.633 20 30 JFEDLO C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286692664 1060804981 /nfs/dbraw/zinc/80/49/81/1060804981.db2.gz LEEGZWIZPZIQMU-INIZCTEOSA-N 1 2 490.450 2.801 20 30 JFEDLO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001286736455 1060854163 /nfs/dbraw/zinc/85/41/63/1060854163.db2.gz FTTQUUVCYREARK-GHTZIAJQSA-N 1 2 459.616 2.647 20 30 JFEDLO C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286781510 1060926268 /nfs/dbraw/zinc/92/62/68/1060926268.db2.gz ZXWUPRWJUDNPAU-FQEVSTJZSA-N 1 2 490.612 2.762 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001286784530 1060938530 /nfs/dbraw/zinc/93/85/30/1060938530.db2.gz KNONJDUKMNLUHI-NRFANRHFSA-N 1 2 491.621 2.690 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286798512 1060979175 /nfs/dbraw/zinc/97/91/75/1060979175.db2.gz IONJXVNVJKYVCS-QKNQBKEWSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286798512 1060979192 /nfs/dbraw/zinc/97/91/92/1060979192.db2.gz IONJXVNVJKYVCS-QKNQBKEWSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286816070 1061022296 /nfs/dbraw/zinc/02/22/96/1061022296.db2.gz FFRISNXVRYDAFL-KRWDZBQOSA-N 1 2 450.008 2.874 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001286816070 1061022312 /nfs/dbraw/zinc/02/23/12/1061022312.db2.gz FFRISNXVRYDAFL-KRWDZBQOSA-N 1 2 450.008 2.874 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286817039 1061028298 /nfs/dbraw/zinc/02/82/98/1061028298.db2.gz OTXWUUMEQGBOIU-UHFFFAOYSA-N 1 2 454.600 2.625 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286824183 1061066248 /nfs/dbraw/zinc/06/62/48/1061066248.db2.gz WRGNVPMOMMSORB-FQEVSTJZSA-N 1 2 461.632 2.605 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001286824183 1061066258 /nfs/dbraw/zinc/06/62/58/1061066258.db2.gz WRGNVPMOMMSORB-FQEVSTJZSA-N 1 2 461.632 2.605 20 30 JFEDLO CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286932671 1061563096 /nfs/dbraw/zinc/56/30/96/1061563096.db2.gz DPGQFTKKRTWXRW-UHFFFAOYSA-N 1 2 458.570 2.679 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001286970172 1061746428 /nfs/dbraw/zinc/74/64/28/1061746428.db2.gz AKTAONIZYUBCJH-QRVBRYPASA-N 1 2 473.622 2.509 20 30 JFEDLO Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCNc3cccc[nH+]3)CC2)c1C#N ZINC001290578114 1062383502 /nfs/dbraw/zinc/38/35/02/1062383502.db2.gz VICLMNUCILVCLU-UHFFFAOYSA-N 1 2 462.606 2.614 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001295335534 1063253399 /nfs/dbraw/zinc/25/33/99/1063253399.db2.gz AVNSNKFSHJVKLB-UNMCSNQZSA-N 1 2 467.593 2.945 20 30 JFEDLO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001295407705 1063399672 /nfs/dbraw/zinc/39/96/72/1063399672.db2.gz XOWVWXVVPLQDLF-RTBURBONSA-N 1 2 474.631 2.986 20 30 JFEDLO CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291365427 1063886391 /nfs/dbraw/zinc/88/63/91/1063886391.db2.gz IHKCSSSBSJNYNL-RDGATRHJSA-N 1 2 451.619 2.582 20 30 JFEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867328 1063902131 /nfs/dbraw/zinc/90/21/31/1063902131.db2.gz MJIBQHRSYBAXAK-LEWJYISDSA-N 1 2 450.930 2.781 20 30 JFEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867328 1063902144 /nfs/dbraw/zinc/90/21/44/1063902144.db2.gz MJIBQHRSYBAXAK-LEWJYISDSA-N 1 2 450.930 2.781 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291524047 1064074233 /nfs/dbraw/zinc/07/42/33/1064074233.db2.gz FCKPLTDYOYAFKY-MOPGFXCFSA-N 1 2 466.634 2.600 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291524049 1064074651 /nfs/dbraw/zinc/07/46/51/1064074651.db2.gz FCKPLTDYOYAFKY-RBUKOAKNSA-N 1 2 466.634 2.600 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001296132395 1064229636 /nfs/dbraw/zinc/22/96/36/1064229636.db2.gz BHYJTQMOJSUNFV-HXUWFJFHSA-N 1 2 463.586 2.984 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292084643 1064766595 /nfs/dbraw/zinc/76/65/95/1064766595.db2.gz JLPICXBJPWHZGF-SIBVEZHUSA-N 1 2 494.644 2.995 20 30 JFEDLO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001292182757 1064973083 /nfs/dbraw/zinc/97/30/83/1064973083.db2.gz AXDVQIZBVFZIDY-AUSIDOKSSA-N 1 2 479.629 2.811 20 30 JFEDLO CN(Cc1ccc(C#N)cc1)c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001165018328 721837159 /nfs/dbraw/zinc/83/71/59/721837159.db2.gz XHSSXAXDGJESBX-UHFFFAOYSA-N 1 2 477.638 2.783 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286279921 1060038244 /nfs/dbraw/zinc/03/82/44/1060038244.db2.gz RHHWINHEQHOGAO-IEBWSBKVSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286279921 1060038265 /nfs/dbraw/zinc/03/82/65/1060038265.db2.gz RHHWINHEQHOGAO-IEBWSBKVSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286305238 1060058350 /nfs/dbraw/zinc/05/83/50/1060058350.db2.gz LSLQWFIABPBYPD-KAMZKSLDSA-N 1 2 467.614 2.842 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001286311485 1060070098 /nfs/dbraw/zinc/07/00/98/1060070098.db2.gz MUHRNZDBIZNGNW-IBGZPJMESA-N 1 2 478.622 2.707 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001286311487 1060070251 /nfs/dbraw/zinc/07/02/51/1060070251.db2.gz MUHRNZDBIZNGNW-LJQANCHMSA-N 1 2 478.622 2.707 20 30 JFEDLO C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286319807 1060080005 /nfs/dbraw/zinc/08/00/05/1060080005.db2.gz WDCUMHXCNDTQKV-IBGZPJMESA-N 1 2 450.587 2.546 20 30 JFEDLO C#CCCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[NH+](CC#C)CC1 ZINC001286322952 1060081914 /nfs/dbraw/zinc/08/19/14/1060081914.db2.gz FJNPVDACNQECIJ-UHFFFAOYSA-N 1 2 457.582 2.795 20 30 JFEDLO C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286357678 1060117071 /nfs/dbraw/zinc/11/70/71/1060117071.db2.gz YYPIZIQJUGTYEQ-QFIPXVFZSA-N 1 2 464.614 2.712 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382432 1060155238 /nfs/dbraw/zinc/15/52/38/1060155238.db2.gz ATSOZULDWUJKCE-KNQAVFIVSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382432 1060155246 /nfs/dbraw/zinc/15/52/46/1060155246.db2.gz ATSOZULDWUJKCE-KNQAVFIVSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385883 1060181908 /nfs/dbraw/zinc/18/19/08/1060181908.db2.gz QMUHBDDATAWSGU-ZRCGQRJVSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385883 1060181911 /nfs/dbraw/zinc/18/19/11/1060181911.db2.gz QMUHBDDATAWSGU-ZRCGQRJVSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286395664 1060257307 /nfs/dbraw/zinc/25/73/07/1060257307.db2.gz SLTYZEPFHQCUAU-QZTJIDSGSA-N 1 2 463.673 2.858 20 30 JFEDLO C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001286398144 1060271906 /nfs/dbraw/zinc/27/19/06/1060271906.db2.gz GVSKPBKGEQSRPN-UHFFFAOYSA-N 1 2 461.614 2.949 20 30 JFEDLO C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001286402397 1060284968 /nfs/dbraw/zinc/28/49/68/1060284968.db2.gz WRPZCYLDUCDIIL-UHFFFAOYSA-N 1 2 476.606 2.604 20 30 JFEDLO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286427610 1060317329 /nfs/dbraw/zinc/31/73/29/1060317329.db2.gz KJZSNPJXEYSEPV-UHFFFAOYSA-N 1 2 476.531 2.890 20 30 JFEDLO C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286434474 1060326351 /nfs/dbraw/zinc/32/63/51/1060326351.db2.gz LCZSCQQKCNWNLQ-SANMLTNESA-N 1 2 495.649 2.537 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOC[C@H]1C ZINC001286461763 1060347033 /nfs/dbraw/zinc/34/70/33/1060347033.db2.gz WVIZHLPBSWZQTH-LJQANCHMSA-N 1 2 496.612 2.769 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286461763 1060347054 /nfs/dbraw/zinc/34/70/54/1060347054.db2.gz WVIZHLPBSWZQTH-LJQANCHMSA-N 1 2 496.612 2.769 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ccncc2Cl)CC1 ZINC001286469682 1060358529 /nfs/dbraw/zinc/35/85/29/1060358529.db2.gz JEIZFHDUAHPGAQ-UHFFFAOYSA-N 1 2 463.973 2.999 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)Oc2ccccc2F)CC1 ZINC001286469758 1060359186 /nfs/dbraw/zinc/35/91/86/1060359186.db2.gz KPJWGZCQNMQRRV-SFHVURJKSA-N 1 2 456.566 2.558 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(Cl)ccc2OC)CC1 ZINC001286471998 1060367655 /nfs/dbraw/zinc/36/76/55/1060367655.db2.gz CIEOEUVRWIAADN-DEOSSOPVSA-N 1 2 474.005 2.784 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)C)CC1 ZINC001286472644 1060369722 /nfs/dbraw/zinc/36/97/22/1060369722.db2.gz UZLMSNROWXNWBK-NRFANRHFSA-N 1 2 452.603 2.705 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CCC(OC)CC2)CC1 ZINC001286472697 1060370074 /nfs/dbraw/zinc/37/00/74/1060370074.db2.gz BZGCGFKQBQKSLI-UHFFFAOYSA-N 1 2 461.408 2.996 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001286472672 1060370168 /nfs/dbraw/zinc/37/01/68/1060370168.db2.gz AVIKBZPQARTDLC-DEOSSOPVSA-N 1 2 492.649 2.939 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nnc(C)s2)CC1 ZINC001286472950 1060370815 /nfs/dbraw/zinc/37/08/15/1060370815.db2.gz FMMQOTLSQGQDQN-UHFFFAOYSA-N 1 2 476.379 2.810 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 ZINC001286472844 1060371976 /nfs/dbraw/zinc/37/19/76/1060371976.db2.gz LXUFXYWGYKFCHT-LVXARBLLSA-N 1 2 483.613 2.550 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)(C)C2CC2)CC1 ZINC001286473742 1060377371 /nfs/dbraw/zinc/37/73/71/1060377371.db2.gz SLTDNKRGKCGDPA-UHFFFAOYSA-N 1 2 484.670 2.777 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)c2nccs2)CC1 ZINC001286473909 1060379203 /nfs/dbraw/zinc/37/92/03/1060379203.db2.gz VGQRIWIEJOHOHE-QGZVFWFLSA-N 1 2 452.584 2.978 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)C(C)C)CC1 ZINC001286474407 1060382799 /nfs/dbraw/zinc/38/27/99/1060382799.db2.gz IYZLBGJOEQUZQT-VWLOTQADSA-N 1 2 455.603 2.903 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001286474373 1060382955 /nfs/dbraw/zinc/38/29/55/1060382955.db2.gz IICVABPMQVYDAY-UHFFFAOYSA-N 1 2 484.507 2.762 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001286474443 1060383955 /nfs/dbraw/zinc/38/39/55/1060383955.db2.gz JVSCBOHDIMGEMN-RUZDIDTESA-N 1 2 453.587 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cccn(CC)c2=O)CC1 ZINC001286474611 1060385762 /nfs/dbraw/zinc/38/57/62/1060385762.db2.gz NOVPVOXVZYLAHU-UHFFFAOYSA-N 1 2 454.937 2.723 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001286475474 1060390038 /nfs/dbraw/zinc/39/00/38/1060390038.db2.gz APKJKQIJWXANEH-UHFFFAOYSA-N 1 2 485.539 2.732 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC001286478603 1060394187 /nfs/dbraw/zinc/39/41/87/1060394187.db2.gz BTNPBOPZNNOGRC-SFHVURJKSA-N 1 2 459.978 2.646 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001286478873 1060395601 /nfs/dbraw/zinc/39/56/01/1060395601.db2.gz DBNCKZUCRNNSKY-NRFANRHFSA-N 1 2 496.612 2.849 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2nccs2)CC1 ZINC001286479111 1060396270 /nfs/dbraw/zinc/39/62/70/1060396270.db2.gz FPXQOSUZLCCFAP-LJQANCHMSA-N 1 2 485.658 2.847 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001286479429 1060396311 /nfs/dbraw/zinc/39/63/11/1060396311.db2.gz SFSHWVLOQZJVMH-UHFFFAOYSA-N 1 2 455.006 2.680 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001286480369 1060398666 /nfs/dbraw/zinc/39/86/66/1060398666.db2.gz MLJPMPPGQGVDIU-UNMCSNQZSA-N 1 2 486.661 2.699 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2)CC1 ZINC001286480088 1060398734 /nfs/dbraw/zinc/39/87/34/1060398734.db2.gz KIKMITLBPJDPMW-QFIPXVFZSA-N 1 2 480.613 2.698 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001286480414 1060399150 /nfs/dbraw/zinc/39/91/50/1060399150.db2.gz VWHGUVYAEKPASZ-LJQANCHMSA-N 1 2 453.591 2.707 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001286480666 1060399277 /nfs/dbraw/zinc/39/92/77/1060399277.db2.gz OVYXYBSMBNUJBU-OALUTQOASA-N 1 2 494.587 2.572 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001286480413 1060399317 /nfs/dbraw/zinc/39/93/17/1060399317.db2.gz VWHGUVYAEKPASZ-IBGZPJMESA-N 1 2 453.591 2.707 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC2CC2)CC1 ZINC001286481380 1060402148 /nfs/dbraw/zinc/40/21/48/1060402148.db2.gz UWZACQLIADRCAL-JOCHJYFZSA-N 1 2 486.661 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(F)(F)F)CC1 ZINC001286481980 1060404798 /nfs/dbraw/zinc/40/47/98/1060404798.db2.gz LOOGCWPXFSOUFQ-UHFFFAOYSA-N 1 2 463.533 2.567 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC001286482508 1060406727 /nfs/dbraw/zinc/40/67/27/1060406727.db2.gz UJBFPTBYVPIHGT-WJOKGBTCSA-N 1 2 453.637 2.612 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NC2CCCCC2)CC1 ZINC001286484056 1060413345 /nfs/dbraw/zinc/41/33/45/1060413345.db2.gz DFOJJEPWJHXWTL-UHFFFAOYSA-N 1 2 464.614 2.678 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCc2cccc(C)n2)CC1 ZINC001286484079 1060414159 /nfs/dbraw/zinc/41/41/59/1060414159.db2.gz DNWFUIVDRLBMQF-UHFFFAOYSA-N 1 2 455.566 2.820 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286484468 1060417363 /nfs/dbraw/zinc/41/73/63/1060417363.db2.gz KYJNQZRXWVKFSP-FQEVSTJZSA-N 1 2 476.547 2.805 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2snnc2C)CC1 ZINC001286484566 1060418259 /nfs/dbraw/zinc/41/82/59/1060418259.db2.gz MJALWEMYSMUTTM-UHFFFAOYSA-N 1 2 488.415 2.583 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cnn(CCOC)c2)CC1 ZINC001286484660 1060419338 /nfs/dbraw/zinc/41/93/38/1060419338.db2.gz NBXXQCOCBUWIOX-UHFFFAOYSA-N 1 2 491.640 2.801 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001286484866 1060420599 /nfs/dbraw/zinc/42/05/99/1060420599.db2.gz YTJNOLSPSYCFMO-UHFFFAOYSA-N 1 2 484.507 2.666 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)Oc2ccccc2OC)CC1 ZINC001286484820 1060420637 /nfs/dbraw/zinc/42/06/37/1060420637.db2.gz PLYRSCRFDLKGDH-IBGZPJMESA-N 1 2 494.621 2.501 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)Oc2ccccc2OC)CC1 ZINC001286484821 1060420655 /nfs/dbraw/zinc/42/06/55/1060420655.db2.gz PLYRSCRFDLKGDH-LJQANCHMSA-N 1 2 494.621 2.501 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001286484938 1060421449 /nfs/dbraw/zinc/42/14/49/1060421449.db2.gz RDBUYDCTHKPRGS-UHFFFAOYSA-N 1 2 479.491 2.529 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001286486073 1060431341 /nfs/dbraw/zinc/43/13/41/1060431341.db2.gz HGMMWIKVVXLAIQ-HSZRJFAPSA-N 1 2 478.641 2.615 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001286492874 1060500138 /nfs/dbraw/zinc/50/01/38/1060500138.db2.gz KLFSLZYXWITYNJ-VWLOTQADSA-N 1 2 492.668 2.824 20 30 JFEDLO C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286506580 1060534951 /nfs/dbraw/zinc/53/49/51/1060534951.db2.gz XTJRTECLZIMJOC-UHFFFAOYSA-N 1 2 454.575 2.993 20 30 JFEDLO C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001286537147 1060577982 /nfs/dbraw/zinc/57/79/82/1060577982.db2.gz XLVUYYQREQJVII-GOSISDBHSA-N 1 2 490.450 2.715 20 30 JFEDLO C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286538629 1060581239 /nfs/dbraw/zinc/58/12/39/1060581239.db2.gz RCYMJKKTPALMPC-MRXNPFEDSA-N 1 2 451.369 2.699 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001286562283 1060640994 /nfs/dbraw/zinc/64/09/94/1060640994.db2.gz JUTDRJFGFLKDRN-HKBOAZHASA-N 1 2 458.651 2.690 20 30 JFEDLO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286591331 1060687457 /nfs/dbraw/zinc/68/74/57/1060687457.db2.gz PYMZBJUYEJPGRB-JOCHJYFZSA-N 1 2 484.645 2.770 20 30 JFEDLO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001286666171 1060778625 /nfs/dbraw/zinc/77/86/25/1060778625.db2.gz HIRWTFLJHFJOIW-UHFFFAOYSA-N 1 2 454.623 2.957 20 30 JFEDLO C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001286666171 1060778643 /nfs/dbraw/zinc/77/86/43/1060778643.db2.gz HIRWTFLJHFJOIW-UHFFFAOYSA-N 1 2 454.623 2.957 20 30 JFEDLO C=CCCCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001286688171 1060800298 /nfs/dbraw/zinc/80/02/98/1060800298.db2.gz VUCPXDSUZRWYKB-FQEVSTJZSA-N 1 2 452.607 2.614 20 30 JFEDLO C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001286757026 1060883901 /nfs/dbraw/zinc/88/39/01/1060883901.db2.gz CYNOBCNWLCKUBS-GOSISDBHSA-N 1 2 456.547 2.732 20 30 JFEDLO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286778086 1060915141 /nfs/dbraw/zinc/91/51/41/1060915141.db2.gz XYHWDFOLXQTMJV-LJQANCHMSA-N 1 2 470.643 2.898 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286783691 1060934342 /nfs/dbraw/zinc/93/43/42/1060934342.db2.gz YZTKZXGOXMIHNB-UHFFFAOYSA-N 1 2 487.395 2.979 20 30 JFEDLO C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286792480 1060961620 /nfs/dbraw/zinc/96/16/20/1060961620.db2.gz ZGFBVPCMJRHBFN-UHFFFAOYSA-N 1 2 475.597 2.800 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286798515 1060979922 /nfs/dbraw/zinc/97/99/22/1060979922.db2.gz IONJXVNVJKYVCS-SVFBPWRDSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286798515 1060979942 /nfs/dbraw/zinc/97/99/42/1060979942.db2.gz IONJXVNVJKYVCS-SVFBPWRDSA-N 1 2 473.643 2.712 20 30 JFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)CC1 ZINC001286972378 1061753602 /nfs/dbraw/zinc/75/36/02/1061753602.db2.gz GYXDYAAOSLVSEJ-OAHLLOKOSA-N 1 2 493.559 2.859 20 30 JFEDLO CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001286973412 1061761470 /nfs/dbraw/zinc/76/14/70/1061761470.db2.gz QUUNAMXGMXQRDL-CCLHPLFOSA-N 1 2 493.656 2.793 20 30 JFEDLO CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001286973415 1061761512 /nfs/dbraw/zinc/76/15/12/1061761512.db2.gz QUUNAMXGMXQRDL-NFQMXDRXSA-N 1 2 493.656 2.793 20 30 JFEDLO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001287043535 1062015752 /nfs/dbraw/zinc/01/57/52/1062015752.db2.gz GUCUZSKWYAAOML-UHFFFAOYSA-N 1 2 486.642 2.617 20 30 JFEDLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001287085643 1062258536 /nfs/dbraw/zinc/25/85/36/1062258536.db2.gz FMDKLMMHCGXTCQ-AUSOSSAASA-N 1 2 470.643 2.523 20 30 JFEDLO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001287085648 1062259121 /nfs/dbraw/zinc/25/91/21/1062259121.db2.gz FMDKLMMHCGXTCQ-VTLMBFNKSA-N 1 2 470.643 2.523 20 30 JFEDLO CCCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC(C)(C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001294765760 1062356543 /nfs/dbraw/zinc/35/65/43/1062356543.db2.gz XPWMVDBELUAMJL-IBGZPJMESA-N 1 2 492.628 2.914 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccncc2Cl)CC1 ZINC001295336148 1063256407 /nfs/dbraw/zinc/25/64/07/1063256407.db2.gz MYKUYLKUBFZPLW-UHFFFAOYSA-N 1 2 493.015 2.904 20 30 JFEDLO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001295407702 1063399889 /nfs/dbraw/zinc/39/98/89/1063399889.db2.gz XOWVWXVVPLQDLF-OALUTQOASA-N 1 2 474.631 2.986 20 30 JFEDLO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309093 1063733352 /nfs/dbraw/zinc/73/33/52/1063733352.db2.gz YIOCKJZTHKMUET-XUVXKRRUSA-N 1 2 475.638 2.852 20 30 JFEDLO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309093 1063733366 /nfs/dbraw/zinc/73/33/66/1063733366.db2.gz YIOCKJZTHKMUET-XUVXKRRUSA-N 1 2 475.638 2.852 20 30 JFEDLO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309094 1063733486 /nfs/dbraw/zinc/73/34/86/1063733486.db2.gz YIOCKJZTHKMUET-ZCNNSNEGSA-N 1 2 475.638 2.852 20 30 JFEDLO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309094 1063733498 /nfs/dbraw/zinc/73/34/98/1063733498.db2.gz YIOCKJZTHKMUET-ZCNNSNEGSA-N 1 2 475.638 2.852 20 30 JFEDLO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001295779721 1063785953 /nfs/dbraw/zinc/78/59/53/1063785953.db2.gz BIHCCWUKKKKWQP-IBGZPJMESA-N 1 2 451.552 2.642 20 30 JFEDLO CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291403719 1063970013 /nfs/dbraw/zinc/97/00/13/1063970013.db2.gz OJLGLCZIDJLAKV-NIYFSFCBSA-N 1 2 490.612 2.951 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291569596 1064096572 /nfs/dbraw/zinc/09/65/72/1064096572.db2.gz IKNSQSFYKWPIBV-IBGZPJMESA-N 1 2 470.643 2.953 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291569596 1064096579 /nfs/dbraw/zinc/09/65/79/1064096579.db2.gz IKNSQSFYKWPIBV-IBGZPJMESA-N 1 2 470.643 2.953 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296133584 1064234082 /nfs/dbraw/zinc/23/40/82/1064234082.db2.gz JBSLSKCXCLEYCJ-LJQANCHMSA-N 1 2 455.582 2.762 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296133917 1064234970 /nfs/dbraw/zinc/23/49/70/1064234970.db2.gz LGIQPNRSAOVAHO-OAQYLSRUSA-N 1 2 476.629 2.885 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292084629 1064766542 /nfs/dbraw/zinc/76/65/42/1064766542.db2.gz JLPICXBJPWHZGF-AFMDSPMNSA-N 1 2 494.644 2.995 20 30 JFEDLO CCc1ccccc1OCc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(C#N)o1 ZINC001292586935 1065302373 /nfs/dbraw/zinc/30/23/73/1065302373.db2.gz NSNUAPPSELFXSU-UHFFFAOYSA-N 1 2 450.543 2.701 20 30 JFEDLO CCC[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293932383 1066411597 /nfs/dbraw/zinc/41/15/97/1066411597.db2.gz IQJCRMPLULMDFT-IBGZPJMESA-N 1 2 453.591 2.518 20 30 JFEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(SC)c1C#N ZINC001164706349 719860225 /nfs/dbraw/zinc/86/02/25/719860225.db2.gz WNKWFXQLHOQGRK-HOYKHHGWSA-N 1 2 467.595 2.970 20 30 JFEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)c(C#N)cc4C#N)CC3)C2=O)cs1 ZINC001164824772 720369757 /nfs/dbraw/zinc/36/97/57/720369757.db2.gz KNPXIZYCTCLATM-UHFFFAOYSA-N 1 2 455.975 2.556 20 30 JFEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)c(C#N)cc4C#N)CC3)C2=O)cs1 ZINC001164824772 720369764 /nfs/dbraw/zinc/36/97/64/720369764.db2.gz KNPXIZYCTCLATM-UHFFFAOYSA-N 1 2 455.975 2.556 20 30 JFEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164824326 720434132 /nfs/dbraw/zinc/43/41/32/720434132.db2.gz KUGCXEGAEWDHJW-NRFANRHFSA-N 1 2 476.556 2.945 20 30 JFEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164830314 720478914 /nfs/dbraw/zinc/47/89/14/720478914.db2.gz AECAXUIMGHEKAK-GOSISDBHSA-N 1 2 466.973 2.946 20 30 JFEDLO N#C[C@H](c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915189 721788757 /nfs/dbraw/zinc/78/87/57/721788757.db2.gz JRSOTXRGMXHVJK-NVQXNPDNSA-N 1 2 474.540 2.774 20 30 JFEDLO N#C[C@H](c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915189 721788760 /nfs/dbraw/zinc/78/87/60/721788760.db2.gz JRSOTXRGMXHVJK-NVQXNPDNSA-N 1 2 474.540 2.774 20 30 JFEDLO N#Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164913686 721800538 /nfs/dbraw/zinc/80/05/38/721800538.db2.gz FXUYVQJXEIAIFM-DEOSSOPVSA-N 1 2 460.494 2.517 20 30 JFEDLO N#Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164913686 721800539 /nfs/dbraw/zinc/80/05/39/721800539.db2.gz FXUYVQJXEIAIFM-DEOSSOPVSA-N 1 2 460.494 2.517 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286280578 1060039930 /nfs/dbraw/zinc/03/99/30/1060039930.db2.gz AKYVEEBMIHKWLI-SFHVURJKSA-N 1 2 456.558 2.668 20 30 JFEDLO C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286317693 1060078574 /nfs/dbraw/zinc/07/85/74/1060078574.db2.gz IADCDBPZTOVBPC-NRFANRHFSA-N 1 2 459.598 2.753 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393204 1060242424 /nfs/dbraw/zinc/24/24/24/1060242424.db2.gz KUUCOIQQRPSYAP-RTWAWAEBSA-N 1 2 475.634 2.935 20 30 JFEDLO C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1c[nH+]ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC001286395699 1060257821 /nfs/dbraw/zinc/25/78/21/1060257821.db2.gz TVXXACOGBLIMQT-HXUWFJFHSA-N 1 2 485.997 2.601 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397170 1060267324 /nfs/dbraw/zinc/26/73/24/1060267324.db2.gz XYZSJDWIWQIQTB-LJQANCHMSA-N 1 2 484.601 2.867 20 30 JFEDLO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNc1cccc[nH+]1 ZINC001286401093 1060282476 /nfs/dbraw/zinc/28/24/76/1060282476.db2.gz NQDAMVRPTHJUGJ-UHFFFAOYSA-N 1 2 476.610 2.517 20 30 JFEDLO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001286424106 1060312190 /nfs/dbraw/zinc/31/21/90/1060312190.db2.gz YOUQLLYINAXXKK-VWLOTQADSA-N 1 2 462.529 2.766 20 30 JFEDLO C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNc1cccc[nH+]1 ZINC001286430961 1060321884 /nfs/dbraw/zinc/32/18/84/1060321884.db2.gz LMDSDPFIEGVOPJ-UHFFFAOYSA-N 1 2 469.597 2.812 20 30 JFEDLO C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286443031 1060332515 /nfs/dbraw/zinc/33/25/15/1060332515.db2.gz VSHDODLIAZYRPW-UHFFFAOYSA-N 1 2 480.642 2.987 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286453652 1060337053 /nfs/dbraw/zinc/33/70/53/1060337053.db2.gz BFTCHZKRQYXNBL-SANMLTNESA-N 1 2 485.604 2.820 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001286455811 1060337856 /nfs/dbraw/zinc/33/78/56/1060337856.db2.gz ZNJPMCUCKMWVAP-UHFFFAOYSA-N 1 2 491.571 2.815 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286455811 1060337881 /nfs/dbraw/zinc/33/78/81/1060337881.db2.gz ZNJPMCUCKMWVAP-UHFFFAOYSA-N 1 2 491.571 2.815 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001286459139 1060342029 /nfs/dbraw/zinc/34/20/29/1060342029.db2.gz KVAUAEBNYKLRJB-FQEVSTJZSA-N 1 2 454.600 2.505 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)CC1 ZINC001286469532 1060358838 /nfs/dbraw/zinc/35/88/38/1060358838.db2.gz IKHMMOPQCZSHCM-UHFFFAOYSA-N 1 2 479.972 2.585 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2c[nH]c3ccc(F)cc23)CC1 ZINC001286470181 1060361565 /nfs/dbraw/zinc/36/15/65/1060361565.db2.gz UOEORXMALUWVKL-UHFFFAOYSA-N 1 2 465.577 2.815 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001286470659 1060363513 /nfs/dbraw/zinc/36/35/13/1060363513.db2.gz AWWDCOAAXYOMLK-SFHVURJKSA-N 1 2 481.576 2.665 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cscc2C)CC1 ZINC001286472629 1060369797 /nfs/dbraw/zinc/36/97/97/1060369797.db2.gz ADWFGJKICDUFPC-UHFFFAOYSA-N 1 2 455.609 2.522 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCn2cncn2)CC1 ZINC001286472840 1060371205 /nfs/dbraw/zinc/37/12/05/1060371205.db2.gz VZMIBYMUPODHAR-IBGZPJMESA-N 1 2 468.993 2.735 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(OC)c2)CC1 ZINC001286472877 1060371494 /nfs/dbraw/zinc/37/14/94/1060371494.db2.gz MAZMRXHYWRPCHI-UHFFFAOYSA-N 1 2 455.360 2.848 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCOCCCO)CC1 ZINC001286473075 1060372736 /nfs/dbraw/zinc/37/27/36/1060372736.db2.gz OFORCEAHRHHQGQ-UHFFFAOYSA-N 1 2 466.611 2.531 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H]2CCCOC2)CC1 ZINC001286473108 1060373210 /nfs/dbraw/zinc/37/32/10/1060373210.db2.gz IJWPUXDZWOEELF-QGZVFWFLSA-N 1 2 474.403 2.898 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001286473702 1060376501 /nfs/dbraw/zinc/37/65/01/1060376501.db2.gz RHSRPKJLFVMTBA-XMMPIXPASA-N 1 2 467.595 2.687 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001286473804 1060378402 /nfs/dbraw/zinc/37/84/02/1060378402.db2.gz XSEWFVHQYURXHP-QFIPXVFZSA-N 1 2 481.494 2.892 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(OC)CCCC2)CC1 ZINC001286473977 1060379342 /nfs/dbraw/zinc/37/93/42/1060379342.db2.gz WRNJHJJPTGDCCF-UHFFFAOYSA-N 1 2 469.586 2.685 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC2CC(OCC)C2)CC1 ZINC001286474310 1060382091 /nfs/dbraw/zinc/38/20/91/1060382091.db2.gz HDNFFIUPNACSAZ-UHFFFAOYSA-N 1 2 453.587 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001286474436 1060382926 /nfs/dbraw/zinc/38/29/26/1060382926.db2.gz JUNCFOXAMRBJTO-PZJWPPBQSA-N 1 2 453.587 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001286477045 1060392875 /nfs/dbraw/zinc/39/28/75/1060392875.db2.gz NCHMQENLAMOLKT-HXUWFJFHSA-N 1 2 490.612 2.799 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(C)CCCO2)CC1 ZINC001286478745 1060395128 /nfs/dbraw/zinc/39/51/28/1060395128.db2.gz BXTBNHFOUILUIN-RUZDIDTESA-N 1 2 472.634 2.717 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(CCC)CC2)CC1 ZINC001286478936 1060395467 /nfs/dbraw/zinc/39/54/67/1060395467.db2.gz DVVMYFSQQRKVJY-FQEVSTJZSA-N 1 2 472.634 2.922 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCc2nccs2)CC1 ZINC001286479110 1060395771 /nfs/dbraw/zinc/39/57/71/1060395771.db2.gz FPXQOSUZLCCFAP-IBGZPJMESA-N 1 2 485.658 2.847 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(OC)nc2)CC1 ZINC001286480885 1060399775 /nfs/dbraw/zinc/39/97/75/1060399775.db2.gz QFNOVLGHKGMEHS-NRFANRHFSA-N 1 2 495.628 2.600 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCC(C)(C)COC)CC1 ZINC001286480884 1060400104 /nfs/dbraw/zinc/40/01/04/1060400104.db2.gz QFAQGCMGWCDNJV-UHFFFAOYSA-N 1 2 480.661 2.660 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001286481821 1060403322 /nfs/dbraw/zinc/40/33/22/1060403322.db2.gz YBGFBAXMSNYPBT-FQRUVTKNSA-N 1 2 498.628 2.649 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286482259 1060405595 /nfs/dbraw/zinc/40/55/95/1060405595.db2.gz OBWAFLVIKUKYRE-SFHVURJKSA-N 1 2 464.511 2.647 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCNC(=O)c2occc2C)CC1 ZINC001286483692 1060409960 /nfs/dbraw/zinc/40/99/60/1060409960.db2.gz USTGXRPJKNDNGG-UHFFFAOYSA-N 1 2 460.582 2.540 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001286483940 1060412289 /nfs/dbraw/zinc/41/22/89/1060412289.db2.gz FEDGZCWPRRAAOS-GOSISDBHSA-N 1 2 472.565 2.665 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccco2)CC1 ZINC001286483919 1060412328 /nfs/dbraw/zinc/41/23/28/1060412328.db2.gz DFUPMJKWHXTFHY-UHFFFAOYSA-N 1 2 464.595 2.657 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2csc(CC)n2)CC1 ZINC001286484511 1060417238 /nfs/dbraw/zinc/41/72/38/1060417238.db2.gz PNHBKENTCSBNQY-UHFFFAOYSA-N 1 2 452.584 2.688 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3CC)n2Cc2csc(COC)n2)CC1 ZINC001286484519 1060417295 /nfs/dbraw/zinc/41/72/95/1060417295.db2.gz PTBBLGPXZBNUTG-UHFFFAOYSA-N 1 2 466.611 2.826 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCOC2CCOCC2)CC1 ZINC001286484887 1060420619 /nfs/dbraw/zinc/42/06/19/1060420619.db2.gz ZSBMMNYSYNSCNC-UHFFFAOYSA-N 1 2 453.587 2.506 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2OC(F)(F)F)CC1 ZINC001286485467 1060425320 /nfs/dbraw/zinc/42/53/20/1060425320.db2.gz MSZHULHDGVEVMC-ICSRJNTNSA-N 1 2 479.503 2.704 20 30 JFEDLO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)CC1 ZINC001286485689 1060429177 /nfs/dbraw/zinc/42/91/77/1060429177.db2.gz UVWBDVOZHVNDDV-OYRHEFFESA-N 1 2 494.644 2.701 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001286485809 1060430538 /nfs/dbraw/zinc/43/05/38/1060430538.db2.gz YRHVQSHGFYJIGK-GOSISDBHSA-N 1 2 463.508 2.801 20 30 JFEDLO C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286532720 1060569208 /nfs/dbraw/zinc/56/92/08/1060569208.db2.gz LCNMZGODDWKDGI-INIZCTEOSA-N 1 2 459.392 2.643 20 30 JFEDLO C=C(Br)Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001286533186 1060569535 /nfs/dbraw/zinc/56/95/35/1060569535.db2.gz UPORFAJHLZCSLR-UHFFFAOYSA-N 1 2 459.392 2.598 20 30 JFEDLO C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286535341 1060572851 /nfs/dbraw/zinc/57/28/51/1060572851.db2.gz OFNVCFVLCWQZIA-CQSZACIVSA-N 1 2 494.825 2.691 20 30 JFEDLO C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286568899 1060662228 /nfs/dbraw/zinc/66/22/28/1060662228.db2.gz YLMSIVPQKACHIN-SFHVURJKSA-N 1 2 461.636 2.724 20 30 JFEDLO C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001286606725 1060715751 /nfs/dbraw/zinc/71/57/51/1060715751.db2.gz YYVCMFVVDDHIJU-QFIPXVFZSA-N 1 2 453.635 2.846 20 30 JFEDLO C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1)c1ccccc1 ZINC001286617123 1060731674 /nfs/dbraw/zinc/73/16/74/1060731674.db2.gz IJWIODKBBHNRGN-GOTSBHOMSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1)c1ccccc1 ZINC001286617123 1060731687 /nfs/dbraw/zinc/73/16/87/1060731687.db2.gz IJWIODKBBHNRGN-GOTSBHOMSA-N 1 2 487.670 2.831 20 30 JFEDLO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001286652362 1060768481 /nfs/dbraw/zinc/76/84/81/1060768481.db2.gz WJKZOFJZRIGBKL-IBGZPJMESA-N 1 2 487.674 2.970 20 30 JFEDLO C=CCCCCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286685757 1060798320 /nfs/dbraw/zinc/79/83/20/1060798320.db2.gz YJFXPNAJXJUKMR-QFIPXVFZSA-N 1 2 453.635 2.928 20 30 JFEDLO C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001286735397 1060853454 /nfs/dbraw/zinc/85/34/54/1060853454.db2.gz YJTYGHHTJCCJEZ-UHFFFAOYSA-N 1 2 468.583 2.802 20 30 JFEDLO C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001286736458 1060854204 /nfs/dbraw/zinc/85/42/04/1060854204.db2.gz FTTQUUVCYREARK-WIYYLYMNSA-N 1 2 459.616 2.647 20 30 JFEDLO C=CCN(c1nnc(COc2ccc(Cl)cc2)n1CC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC001286739770 1060857989 /nfs/dbraw/zinc/85/79/89/1060857989.db2.gz NWKPSXGQVNHBRJ-UHFFFAOYSA-N 1 2 458.994 2.829 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286781878 1060927232 /nfs/dbraw/zinc/92/72/32/1060927232.db2.gz CXDCMUJEZQOLQB-UHFFFAOYSA-N 1 2 490.612 2.804 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286784727 1060939068 /nfs/dbraw/zinc/93/90/68/1060939068.db2.gz RQUHBYYVEZHSFF-UHFFFAOYSA-N 1 2 478.576 2.935 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286822589 1061058829 /nfs/dbraw/zinc/05/88/29/1061058829.db2.gz GPRCEMMXHGLKLB-UHFFFAOYSA-N 1 2 461.632 2.605 20 30 JFEDLO C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001286828136 1061076118 /nfs/dbraw/zinc/07/61/18/1061076118.db2.gz HRTWIPKSNBTBLK-IBGZPJMESA-N 1 2 457.648 2.715 20 30 JFEDLO C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001286828138 1061076136 /nfs/dbraw/zinc/07/61/36/1061076136.db2.gz HRTWIPKSNBTBLK-LJQANCHMSA-N 1 2 457.648 2.715 20 30 JFEDLO C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286833071 1061083405 /nfs/dbraw/zinc/08/34/05/1061083405.db2.gz UQCNIOLBVYRERR-FGZHOGPDSA-N 1 2 478.707 2.670 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001286890772 1061356617 /nfs/dbraw/zinc/35/66/17/1061356617.db2.gz QRGLUSLOLFMSJK-KBMIEXCESA-N 1 2 483.592 2.851 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001286891429 1061360621 /nfs/dbraw/zinc/36/06/21/1061360621.db2.gz XJZAIDFIUWHBIL-GOSISDBHSA-N 1 2 486.020 2.976 20 30 JFEDLO Cc1cccc(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)[nH+]1 ZINC001290002854 1061729079 /nfs/dbraw/zinc/72/90/79/1061729079.db2.gz JWEMTYNYZYCGTH-OAQYLSRUSA-N 1 2 479.972 2.927 20 30 JFEDLO C[C@H](Cn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC001286968729 1061744211 /nfs/dbraw/zinc/74/42/11/1061744211.db2.gz BIQNZULEKBROAI-IAGOWNOFSA-N 1 2 477.407 2.936 20 30 JFEDLO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)[nH+]c1)S(C)(=O)=O ZINC001286979117 1061804530 /nfs/dbraw/zinc/80/45/30/1061804530.db2.gz KSEVWTWPVNGLTM-DLBZAZTESA-N 1 2 467.599 2.584 20 30 JFEDLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286979121 1061804588 /nfs/dbraw/zinc/80/45/88/1061804588.db2.gz KSEVWTWPVNGLTM-IAGOWNOFSA-N 1 2 467.599 2.584 20 30 JFEDLO Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001290378284 1062080424 /nfs/dbraw/zinc/08/04/24/1062080424.db2.gz OCSACZYEHKIEKE-UHFFFAOYSA-N 1 2 467.599 2.619 20 30 JFEDLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001287157708 1062548704 /nfs/dbraw/zinc/54/87/04/1062548704.db2.gz ODJKKRJEYVMNBB-JOCHJYFZSA-N 1 2 488.596 2.790 20 30 JFEDLO CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001294881651 1062594213 /nfs/dbraw/zinc/59/42/13/1062594213.db2.gz RPNMQSMBCHQKIZ-NRFANRHFSA-N 1 2 493.637 2.914 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001295335531 1063252923 /nfs/dbraw/zinc/25/29/23/1063252923.db2.gz AVNSNKFSHJVKLB-IFMALSPDSA-N 1 2 467.593 2.945 20 30 JFEDLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)c[nH+]1 ZINC001295418239 1063423855 /nfs/dbraw/zinc/42/38/55/1063423855.db2.gz CXUPEIRISKSGRV-XXBNENTESA-N 1 2 471.631 2.600 20 30 JFEDLO CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291365426 1063886479 /nfs/dbraw/zinc/88/64/79/1063886479.db2.gz IHKCSSSBSJNYNL-RCZVLFRGSA-N 1 2 451.619 2.582 20 30 JFEDLO CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291403718 1063969870 /nfs/dbraw/zinc/96/98/70/1063969870.db2.gz OJLGLCZIDJLAKV-BCHFMIIMSA-N 1 2 490.612 2.951 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291524050 1064074552 /nfs/dbraw/zinc/07/45/52/1064074552.db2.gz FCKPLTDYOYAFKY-RTBURBONSA-N 1 2 466.634 2.600 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296135488 1064240164 /nfs/dbraw/zinc/24/01/64/1064240164.db2.gz ZGLGXLOAMNCRBN-RTWAWAEBSA-N 1 2 451.619 2.991 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291996094 1064612983 /nfs/dbraw/zinc/61/29/83/1064612983.db2.gz VKKQBYJSOPDKKB-UHFFFAOYSA-N 1 2 467.618 2.815 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001291996094 1064613001 /nfs/dbraw/zinc/61/30/01/1064613001.db2.gz VKKQBYJSOPDKKB-UHFFFAOYSA-N 1 2 467.618 2.815 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292084640 1064766681 /nfs/dbraw/zinc/76/66/81/1064766681.db2.gz JLPICXBJPWHZGF-NIYFSFCBSA-N 1 2 494.644 2.995 20 30 JFEDLO C=CC1(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001292182955 1064973052 /nfs/dbraw/zinc/97/30/52/1064973052.db2.gz MLNWOPCWMPTUGV-UHFFFAOYSA-N 1 2 459.587 2.827 20 30 JFEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1 ZINC001292889939 1065587166 /nfs/dbraw/zinc/58/71/66/1065587166.db2.gz QLJHYXBVENPKSQ-UHFFFAOYSA-N 1 2 455.562 2.745 20 30 JFEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1 ZINC001292889939 1065587177 /nfs/dbraw/zinc/58/71/77/1065587177.db2.gz QLJHYXBVENPKSQ-UHFFFAOYSA-N 1 2 455.562 2.745 20 30 JFEDLO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001293228116 1065881346 /nfs/dbraw/zinc/88/13/46/1065881346.db2.gz KLWOESWDECPNLQ-NRFANRHFSA-N 1 2 458.570 2.821 20 30 JFEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001164704778 719860032 /nfs/dbraw/zinc/86/00/32/719860032.db2.gz SPANXQULEYNZRZ-VUMVONDWSA-N 1 2 453.518 2.504 20 30 JFEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(SC)c1C#N ZINC001164706350 719860243 /nfs/dbraw/zinc/86/02/43/719860243.db2.gz WNKWFXQLHOQGRK-KOSHJBKYSA-N 1 2 467.595 2.970 20 30 JFEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001164704780 719860326 /nfs/dbraw/zinc/86/03/26/719860326.db2.gz SPANXQULEYNZRZ-YJLYGGOZSA-N 1 2 453.518 2.504 20 30 JFEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164708077 719869894 /nfs/dbraw/zinc/86/98/94/719869894.db2.gz XNCGPXPNUMPSDK-GJZUVCINSA-N 1 2 464.566 2.959 20 30 JFEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164711530 720049097 /nfs/dbraw/zinc/04/90/97/720049097.db2.gz IHPBUKIOZKTJFE-UHFFFAOYSA-N 1 2 485.926 2.722 20 30 JFEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C2)C1 ZINC001164725893 720311580 /nfs/dbraw/zinc/31/15/80/720311580.db2.gz XATPQRORHVQDOK-QFIPXVFZSA-N 1 2 463.916 2.703 20 30 JFEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C2)C1 ZINC001164725893 720311590 /nfs/dbraw/zinc/31/15/90/720311590.db2.gz XATPQRORHVQDOK-QFIPXVFZSA-N 1 2 463.916 2.703 20 30 JFEDLO Cc1ccc([C@H](C#N)c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164827023 720433277 /nfs/dbraw/zinc/43/32/77/720433277.db2.gz QMJBAOALSLYDBB-PKTZIBPZSA-N 1 2 487.608 2.627 20 30 JFEDLO Cc1ccc([C@@H](C#N)c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164827025 720433971 /nfs/dbraw/zinc/43/39/71/720433971.db2.gz QMJBAOALSLYDBB-XZOQPEGZSA-N 1 2 487.608 2.627 20 30 JFEDLO Cc1c(Cl)c(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164825360 720439844 /nfs/dbraw/zinc/43/98/44/720439844.db2.gz ROGKWUXDEBJKNW-HNNXBMFYSA-N 1 2 465.385 2.755 20 30 JFEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3cccs3)ccc1C#N)C2 ZINC001164832694 720472225 /nfs/dbraw/zinc/47/22/25/720472225.db2.gz VUNXCLQIZXBXNN-LJQANCHMSA-N 1 2 464.595 2.868 20 30 JFEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3cccs3)ccc1C#N)C2 ZINC001164832693 720472308 /nfs/dbraw/zinc/47/23/08/720472308.db2.gz VUNXCLQIZXBXNN-IBGZPJMESA-N 1 2 464.595 2.868 20 30 JFEDLO N#C[C@@H](c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915186 721787695 /nfs/dbraw/zinc/78/76/95/721787695.db2.gz JRSOTXRGMXHVJK-ATIYNZHBSA-N 1 2 474.540 2.774 20 30 JFEDLO N#C[C@@H](c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915186 721787700 /nfs/dbraw/zinc/78/77/00/721787700.db2.gz JRSOTXRGMXHVJK-ATIYNZHBSA-N 1 2 474.540 2.774 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286280035 1060038882 /nfs/dbraw/zinc/03/88/82/1060038882.db2.gz SHIFXZXTSRPSAX-GOSISDBHSA-N 1 2 462.554 2.700 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)c1 ZINC001286312708 1060074299 /nfs/dbraw/zinc/07/42/99/1060074299.db2.gz ZWHXXPIJXSMIIE-UHFFFAOYSA-N 1 2 464.614 2.788 20 30 JFEDLO C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286336096 1060089386 /nfs/dbraw/zinc/08/93/86/1060089386.db2.gz GTUIILLVXSOXJC-QFIPXVFZSA-N 1 2 489.624 2.665 20 30 JFEDLO C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286364116 1060128078 /nfs/dbraw/zinc/12/80/78/1060128078.db2.gz ZGIXXKZUJSXHOY-SFHVURJKSA-N 1 2 450.518 2.907 20 30 JFEDLO C#CCN(C)c1nnc(COc2cccc(C)c2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001286377825 1060142232 /nfs/dbraw/zinc/14/22/32/1060142232.db2.gz IAGNHGXXFUHXOP-UHFFFAOYSA-N 1 2 453.587 2.505 20 30 JFEDLO C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393888 1060244702 /nfs/dbraw/zinc/24/47/02/1060244702.db2.gz LGNDQUISSWMNNG-JOCHJYFZSA-N 1 2 484.670 2.783 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001286460406 1060344626 /nfs/dbraw/zinc/34/46/26/1060344626.db2.gz MXVLMCRTJROISR-LJQANCHMSA-N 1 2 491.552 2.608 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(OC3CCCC3)nc2)CC1 ZINC001286469507 1060358612 /nfs/dbraw/zinc/35/86/12/1060358612.db2.gz ICKRJCTYNHGOEB-UHFFFAOYSA-N 1 2 479.629 2.716 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 ZINC001286470198 1060361486 /nfs/dbraw/zinc/36/14/86/1060361486.db2.gz USUVTXLUZHUZLV-RTBURBONSA-N 1 2 464.614 2.884 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC(=O)N(C)C)CC1 ZINC001286471472 1060365936 /nfs/dbraw/zinc/36/59/36/1060365936.db2.gz KOZKIMYDPOFDOL-IBGZPJMESA-N 1 2 473.021 2.922 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001286471751 1060366899 /nfs/dbraw/zinc/36/68/99/1060366899.db2.gz OAXVUNGRIPFGEG-CTNGQTDRSA-N 1 2 468.577 2.571 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(F)cccc2N2CCCC2)CC1 ZINC001286471691 1060366944 /nfs/dbraw/zinc/36/69/44/1060366944.db2.gz MTVURPQGIPPLJQ-HXUWFJFHSA-N 1 2 470.593 2.545 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001286471937 1060367507 /nfs/dbraw/zinc/36/75/07/1060367507.db2.gz BLTAGHYVCDBAFY-UHFFFAOYSA-N 1 2 491.344 2.577 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)CC1 ZINC001286472693 1060370247 /nfs/dbraw/zinc/37/02/47/1060370247.db2.gz BRPGGEVINXJHTC-SFHVURJKSA-N 1 2 457.600 2.622 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)nc2)CC1 ZINC001286473437 1060375600 /nfs/dbraw/zinc/37/56/00/1060375600.db2.gz SJQGAPIAHLPNNY-UHFFFAOYSA-N 1 2 454.376 2.553 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccccc2OCC=C)CC1 ZINC001286473829 1060378554 /nfs/dbraw/zinc/37/85/54/1060378554.db2.gz YMKIBGBTTWXOQG-SANMLTNESA-N 1 2 465.598 2.687 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001286474079 1060380233 /nfs/dbraw/zinc/38/02/33/1060380233.db2.gz ZQINITWLWRNCBE-UHFFFAOYSA-N 1 2 480.613 2.557 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001286474060 1060380317 /nfs/dbraw/zinc/38/03/17/1060380317.db2.gz YRYUKPIASRGWDL-UHFFFAOYSA-N 1 2 452.946 2.814 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCc2c(C)noc2C)CC1 ZINC001286474144 1060381088 /nfs/dbraw/zinc/38/10/88/1060381088.db2.gz CBYBLVINOSLWRR-UHFFFAOYSA-N 1 2 464.570 2.955 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2csc(CC)n2)CC1 ZINC001286474185 1060381121 /nfs/dbraw/zinc/38/11/21/1060381121.db2.gz DQZVIWVDERRYFD-UHFFFAOYSA-N 1 2 466.611 2.979 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001286474309 1060382203 /nfs/dbraw/zinc/38/22/03/1060382203.db2.gz CMLTWKZZDOFFHT-UHFFFAOYSA-N 1 2 460.460 2.986 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCCOCC)CC1 ZINC001286474704 1060386698 /nfs/dbraw/zinc/38/66/98/1060386698.db2.gz PAFMMKXTGVFSHT-UHFFFAOYSA-N 1 2 462.392 2.898 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001286474812 1060387042 /nfs/dbraw/zinc/38/70/42/1060387042.db2.gz PYRQRUGAZXMQAO-LJQANCHMSA-N 1 2 467.492 2.685 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2CCOCC2)CC1 ZINC001286475216 1060389250 /nfs/dbraw/zinc/38/92/50/1060389250.db2.gz ZOWQZRUTZXZLCB-UHFFFAOYSA-N 1 2 474.403 2.898 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001286475339 1060389456 /nfs/dbraw/zinc/38/94/56/1060389456.db2.gz XEQNSWFFGRRBGC-QVKFZJNVSA-N 1 2 494.821 2.656 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCN(C)CC(F)(F)F)CC1 ZINC001286475431 1060389996 /nfs/dbraw/zinc/38/99/96/1060389996.db2.gz AAWUZWZULQLRAH-UHFFFAOYSA-N 1 2 457.504 2.743 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC2CCOCC2)CC1 ZINC001286475637 1060390815 /nfs/dbraw/zinc/39/08/15/1060390815.db2.gz DLNWHFALWWUIMX-UHFFFAOYSA-N 1 2 453.587 2.924 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@H]2CCOC2)CC1 ZINC001286475683 1060390929 /nfs/dbraw/zinc/39/09/29/1060390929.db2.gz GIOWNCSHQKREPZ-FQEVSTJZSA-N 1 2 453.587 2.924 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(O)CCSC2)CC1 ZINC001286475890 1060391777 /nfs/dbraw/zinc/39/17/77/1060391777.db2.gz JXISVDQBIKQVPZ-RUZDIDTESA-N 1 2 485.654 2.756 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001286477226 1060392914 /nfs/dbraw/zinc/39/29/14/1060392914.db2.gz SIEVLEKCGBSSCM-LJQANCHMSA-N 1 2 455.607 2.588 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)CC1 ZINC001286478790 1060394880 /nfs/dbraw/zinc/39/48/80/1060394880.db2.gz CLEZVXIAPQIHRI-SFHVURJKSA-N 1 2 467.517 2.841 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(C)CCCO2)CC1 ZINC001286478747 1060395010 /nfs/dbraw/zinc/39/50/10/1060395010.db2.gz BXTBNHFOUILUIN-VWLOTQADSA-N 1 2 472.634 2.717 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001286481331 1060401015 /nfs/dbraw/zinc/40/10/15/1060401015.db2.gz DQRBHHKHQQXKLB-LJQANCHMSA-N 1 2 470.593 2.924 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2csc([C@@H](C)OC)n2)CC1 ZINC001286481258 1060401183 /nfs/dbraw/zinc/40/11/83/1060401183.db2.gz APDBONKLUOUXPQ-OAHLLOKOSA-N 1 2 457.629 2.601 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001286481823 1060404812 /nfs/dbraw/zinc/40/48/12/1060404812.db2.gz YBGFBAXMSNYPBT-RXFWQSSRSA-N 1 2 498.628 2.649 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2c(CC)nn(C)c2CC)CC1 ZINC001286482221 1060405729 /nfs/dbraw/zinc/40/57/29/1060405729.db2.gz NREMCXIWQRUADO-UHFFFAOYSA-N 1 2 461.614 2.539 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OCCOC)cc2)CC1 ZINC001286482269 1060405768 /nfs/dbraw/zinc/40/57/68/1060405768.db2.gz OQEYNSDMNKCCKD-UHFFFAOYSA-N 1 2 451.596 2.759 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286483588 1060409183 /nfs/dbraw/zinc/40/91/83/1060409183.db2.gz QICAOGXSQQMIBN-OAQYLSRUSA-N 1 2 460.548 2.703 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCN2CCCCC2=O)CC1 ZINC001286483896 1060411256 /nfs/dbraw/zinc/41/12/56/1060411256.db2.gz ACVFHWZHMBLLSC-UHFFFAOYSA-N 1 2 464.614 2.632 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(C(CC)CC)no2)CC1 ZINC001286483947 1060412257 /nfs/dbraw/zinc/41/22/57/1060412257.db2.gz AWIXZRRUGZUBAQ-UHFFFAOYSA-N 1 2 450.591 2.835 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC)Oc2ccccc2F)CC1 ZINC001286484042 1060413068 /nfs/dbraw/zinc/41/30/68/1060413068.db2.gz DCJFRAFRWNGGKB-OAQYLSRUSA-N 1 2 465.577 2.892 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2Cc2csc(CCc3ccccc3)n2)CC1 ZINC001286484332 1060416075 /nfs/dbraw/zinc/41/60/75/1060416075.db2.gz MCTGIQCZDOBSSQ-UHFFFAOYSA-N 1 2 450.612 2.860 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)c2ccccn2)CC1 ZINC001286484506 1060417118 /nfs/dbraw/zinc/41/71/18/1060417118.db2.gz PJAHXQTZRDLQDO-UHFFFAOYSA-N 1 2 460.582 2.994 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001286484777 1060419512 /nfs/dbraw/zinc/41/95/12/1060419512.db2.gz XIUGWMHFBJQBFA-UHFFFAOYSA-N 1 2 481.626 2.818 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)CC1 ZINC001286484993 1060421421 /nfs/dbraw/zinc/42/14/21/1060421421.db2.gz UBNLBEBUOOPYQG-UHFFFAOYSA-N 1 2 477.956 2.611 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCCc2ccc(OC)c(OCC)c2)CC1 ZINC001286485188 1060423188 /nfs/dbraw/zinc/42/31/88/1060423188.db2.gz FEPNBPRCLPVDRE-JOCHJYFZSA-N 1 2 453.587 2.925 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC(=O)N(C)C)CC1 ZINC001286485106 1060423311 /nfs/dbraw/zinc/42/33/11/1060423311.db2.gz UWVDIYVTAOGIOS-UHFFFAOYSA-N 1 2 452.603 2.522 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(=O)c2occc2C)CC1 ZINC001286485452 1060425452 /nfs/dbraw/zinc/42/54/52/1060425452.db2.gz MITHVKGRJZBTPO-IFMALSPDSA-N 1 2 482.629 2.673 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)CC1 ZINC001286485810 1060430565 /nfs/dbraw/zinc/43/05/65/1060430565.db2.gz YXHMULMEZJVWLG-GOSISDBHSA-N 1 2 477.350 2.538 20 30 JFEDLO C=C(Br)Cn1c(C2CCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286539272 1060582686 /nfs/dbraw/zinc/58/26/86/1060582686.db2.gz XXFPCUQOLMHZQE-IBGZPJMESA-N 1 2 467.456 2.685 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001286562281 1060640871 /nfs/dbraw/zinc/64/08/71/1060640871.db2.gz JUTDRJFGFLKDRN-ACRUOGEOSA-N 1 2 458.651 2.690 20 30 JFEDLO C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001286606724 1060715237 /nfs/dbraw/zinc/71/52/37/1060715237.db2.gz YYVCMFVVDDHIJU-JOCHJYFZSA-N 1 2 453.635 2.846 20 30 JFEDLO C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001286652998 1060769402 /nfs/dbraw/zinc/76/94/02/1060769402.db2.gz PLCZSOHGTPEECN-UHFFFAOYSA-N 1 2 467.618 2.879 20 30 JFEDLO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001286715485 1060839624 /nfs/dbraw/zinc/83/96/24/1060839624.db2.gz JPTBWEQBRJHYFD-HSZRJFAPSA-N 1 2 491.061 2.692 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286773300 1060908848 /nfs/dbraw/zinc/90/88/48/1060908848.db2.gz MWRWYYFBTLYTDZ-NHCUHLMSSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001286773300 1060908866 /nfs/dbraw/zinc/90/88/66/1060908866.db2.gz MWRWYYFBTLYTDZ-NHCUHLMSSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286778406 1060915505 /nfs/dbraw/zinc/91/55/05/1060915505.db2.gz AEHQZFBSWPXIGG-QFIPXVFZSA-N 1 2 463.586 2.741 20 30 JFEDLO C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001286797282 1060975778 /nfs/dbraw/zinc/97/57/78/1060975778.db2.gz UDHDCSFRYXPSEC-NRFANRHFSA-N 1 2 473.643 2.571 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286800645 1060984561 /nfs/dbraw/zinc/98/45/61/1060984561.db2.gz OHGPAJHUQODPOA-PZJWPPBQSA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001286812898 1061006379 /nfs/dbraw/zinc/00/63/79/1061006379.db2.gz PSNIMRDEOAXFTD-FCHUYYIVSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001286812898 1061006399 /nfs/dbraw/zinc/00/63/99/1061006399.db2.gz PSNIMRDEOAXFTD-FCHUYYIVSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286834001 1061085718 /nfs/dbraw/zinc/08/57/18/1061085718.db2.gz WZZBZMUQNFQYOI-GOSISDBHSA-N 1 2 489.715 2.686 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001286890283 1061353517 /nfs/dbraw/zinc/35/35/17/1061353517.db2.gz PSVGKYRFDNUTDG-SANMLTNESA-N 1 2 479.629 2.768 20 30 JFEDLO CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001286973413 1061761589 /nfs/dbraw/zinc/76/15/89/1061761589.db2.gz QUUNAMXGMXQRDL-DCFHFQCYSA-N 1 2 493.656 2.793 20 30 JFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(C#N)cc3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC001290287127 1062016396 /nfs/dbraw/zinc/01/63/96/1062016396.db2.gz IEWWGSVGLATVHL-PXNSSMCTSA-N 1 2 467.599 2.769 20 30 JFEDLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001287085645 1062259237 /nfs/dbraw/zinc/25/92/37/1062259237.db2.gz FMDKLMMHCGXTCQ-GSTQUKTASA-N 1 2 470.643 2.523 20 30 JFEDLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(C)(C)O)CC2)s1 ZINC001290497039 1062287930 /nfs/dbraw/zinc/28/79/30/1062287930.db2.gz TYAJGGSSDCGDDM-UHFFFAOYSA-N 1 2 481.626 2.977 20 30 JFEDLO Cc1nc(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCN(C)CC(F)(F)F)CC2)cc[nH+]1 ZINC001290500896 1062292296 /nfs/dbraw/zinc/29/22/96/1062292296.db2.gz GDMSTFGNXIHBHR-UHFFFAOYSA-N 1 2 485.518 2.736 20 30 JFEDLO CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001294881652 1062594321 /nfs/dbraw/zinc/59/43/21/1062594321.db2.gz RPNMQSMBCHQKIZ-OAQYLSRUSA-N 1 2 493.637 2.914 20 30 JFEDLO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287457288 1062896035 /nfs/dbraw/zinc/89/60/35/1062896035.db2.gz YZJXHQVHMRFTHQ-NRFANRHFSA-N 1 2 451.619 2.786 20 30 JFEDLO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287457288 1062896061 /nfs/dbraw/zinc/89/60/61/1062896061.db2.gz YZJXHQVHMRFTHQ-NRFANRHFSA-N 1 2 451.619 2.786 20 30 JFEDLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186620 1063291301 /nfs/dbraw/zinc/29/13/01/1063291301.db2.gz HRMQNZRGNOOWSV-KDURUIRLSA-N 1 2 488.658 2.575 20 30 JFEDLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186620 1063291317 /nfs/dbraw/zinc/29/13/17/1063291317.db2.gz HRMQNZRGNOOWSV-KDURUIRLSA-N 1 2 488.658 2.575 20 30 JFEDLO CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295693328 1063721999 /nfs/dbraw/zinc/72/19/99/1063721999.db2.gz SNFDKLBSDYZMML-UHFFFAOYSA-N 1 2 451.619 2.991 20 30 JFEDLO CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295693328 1063722015 /nfs/dbraw/zinc/72/20/15/1063722015.db2.gz SNFDKLBSDYZMML-UHFFFAOYSA-N 1 2 451.619 2.991 20 30 JFEDLO CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291365425 1063886458 /nfs/dbraw/zinc/88/64/58/1063886458.db2.gz IHKCSSSBSJNYNL-DHLKQENFSA-N 1 2 451.619 2.582 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296133583 1064233944 /nfs/dbraw/zinc/23/39/44/1064233944.db2.gz JBSLSKCXCLEYCJ-IBGZPJMESA-N 1 2 455.582 2.762 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001296134868 1064237522 /nfs/dbraw/zinc/23/75/22/1064237522.db2.gz RSQKJMLBLXDIHM-NRFANRHFSA-N 1 2 451.619 2.991 20 30 JFEDLO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001292182759 1064973019 /nfs/dbraw/zinc/97/30/19/1064973019.db2.gz AXDVQIZBVFZIDY-CVDCTZTESA-N 1 2 479.629 2.811 20 30 JFEDLO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001293228118 1065881268 /nfs/dbraw/zinc/88/12/68/1065881268.db2.gz KLWOESWDECPNLQ-OAQYLSRUSA-N 1 2 458.570 2.821 20 30 JFEDLO CCC[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293932384 1066411501 /nfs/dbraw/zinc/41/15/01/1066411501.db2.gz IQJCRMPLULMDFT-LJQANCHMSA-N 1 2 453.591 2.518 20 30 JFEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(c4C#N)CCCC5)CC3)C2=O)cs1 ZINC001164821509 720385616 /nfs/dbraw/zinc/38/56/16/720385616.db2.gz HHTIMBYSBNYZPV-UHFFFAOYSA-N 1 2 450.612 2.910 20 30 JFEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(c4C#N)CCCC5)CC3)C2=O)cs1 ZINC001164821509 720385621 /nfs/dbraw/zinc/38/56/21/720385621.db2.gz HHTIMBYSBNYZPV-UHFFFAOYSA-N 1 2 450.612 2.910 20 30 JFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917103 721788829 /nfs/dbraw/zinc/78/88/29/721788829.db2.gz WVBWQZLGYQTRGE-AREMUKBSSA-N 1 2 494.668 2.600 20 30 JFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917103 721788833 /nfs/dbraw/zinc/78/88/33/721788833.db2.gz WVBWQZLGYQTRGE-AREMUKBSSA-N 1 2 494.668 2.600 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286277002 1060035044 /nfs/dbraw/zinc/03/50/44/1060035044.db2.gz VPLCEAIZEPQQQN-SYVJQLTCSA-N 1 2 467.614 2.770 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001286300252 1060052853 /nfs/dbraw/zinc/05/28/53/1060052853.db2.gz QBTDSJBTTYKNRY-PGRDOPGGSA-N 1 2 450.612 2.993 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001286300252 1060052874 /nfs/dbraw/zinc/05/28/74/1060052874.db2.gz QBTDSJBTTYKNRY-PGRDOPGGSA-N 1 2 450.612 2.993 20 30 JFEDLO C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286324355 1060083595 /nfs/dbraw/zinc/08/35/95/1060083595.db2.gz OSKBIMHBGDNSMU-OAQYLSRUSA-N 1 2 473.618 2.835 20 30 JFEDLO C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001286324355 1060083614 /nfs/dbraw/zinc/08/36/14/1060083614.db2.gz OSKBIMHBGDNSMU-OAQYLSRUSA-N 1 2 473.618 2.835 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385881 1060181874 /nfs/dbraw/zinc/18/18/74/1060181874.db2.gz QMUHBDDATAWSGU-TXTKFYIRSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385881 1060181879 /nfs/dbraw/zinc/18/18/79/1060181879.db2.gz QMUHBDDATAWSGU-TXTKFYIRSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387218 1060199669 /nfs/dbraw/zinc/19/96/69/1060199669.db2.gz OWIHVAPFDCRLNL-YLJYHZDGSA-N 1 2 471.558 2.607 20 30 JFEDLO C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001286416401 1060303918 /nfs/dbraw/zinc/30/39/18/1060303918.db2.gz QYYUNBOCCHKRMV-JOCHJYFZSA-N 1 2 470.577 2.641 20 30 JFEDLO C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286438129 1060329416 /nfs/dbraw/zinc/32/94/16/1060329416.db2.gz BLTLDOJSRUSBOT-DEOSSOPVSA-N 1 2 457.582 2.523 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286460532 1060345256 /nfs/dbraw/zinc/34/52/56/1060345256.db2.gz FFBPSRPBKPRUGX-GMAHTHKFSA-N 1 2 485.604 2.892 20 30 JFEDLO C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286466283 1060353978 /nfs/dbraw/zinc/35/39/78/1060353978.db2.gz FLSBLGJCPIXKIA-UHFFFAOYSA-N 1 2 460.582 2.543 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nc(C)c(C)s2)CC1 ZINC001286469885 1060359860 /nfs/dbraw/zinc/35/98/60/1060359860.db2.gz NPTKWNHPPSWYMM-UHFFFAOYSA-N 1 2 498.056 2.933 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2oc3ccccc3c2OC)CC1 ZINC001286470014 1060360965 /nfs/dbraw/zinc/36/09/65/1060360965.db2.gz QMEQKAANZDECON-UHFFFAOYSA-N 1 2 464.570 2.755 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC(=O)NC2CC2)CC1 ZINC001286471064 1060364963 /nfs/dbraw/zinc/36/49/63/1060364963.db2.gz GVJVCZDFALYSNT-SFHVURJKSA-N 1 2 471.005 2.886 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001286471277 1060365474 /nfs/dbraw/zinc/36/54/74/1060365474.db2.gz IMFABTNBQNKYSB-FQEVSTJZSA-N 1 2 482.629 2.877 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 ZINC001286471488 1060366317 /nfs/dbraw/zinc/36/63/17/1060366317.db2.gz KYQMWVWYMVQROC-KRWDZBQOSA-N 1 2 468.499 2.807 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CC)Oc2ccccc2F)CC1 ZINC001286472423 1060368738 /nfs/dbraw/zinc/36/87/38/1060368738.db2.gz HPDUKAFBYDZFMF-NBGIEHNGSA-N 1 2 471.577 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001286472674 1060370369 /nfs/dbraw/zinc/37/03/69/1060370369.db2.gz AVIKBZPQARTDLC-XMMPIXPASA-N 1 2 492.649 2.939 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)Oc2ccccc2OC)CC1 ZINC001286472843 1060371111 /nfs/dbraw/zinc/37/11/11/1060371111.db2.gz LXUFXYWGYKFCHT-HFZDXXHNSA-N 1 2 483.613 2.550 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2ccc(OC)nc2)CC1 ZINC001286473658 1060376372 /nfs/dbraw/zinc/37/63/72/1060376372.db2.gz QAJKRTUKFCNMDU-UHFFFAOYSA-N 1 2 497.397 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2sc(C)nc2C)CC1 ZINC001286473589 1060376544 /nfs/dbraw/zinc/37/65/44/1060376544.db2.gz UKCCGOTWVNYDSD-UHFFFAOYSA-N 1 2 474.432 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001286473868 1060378212 /nfs/dbraw/zinc/37/82/12/1060378212.db2.gz UFMWMFVCGIRWRI-GOSISDBHSA-N 1 2 484.601 2.631 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)c2nccs2)CC1 ZINC001286473908 1060379452 /nfs/dbraw/zinc/37/94/52/1060379452.db2.gz VGQRIWIEJOHOHE-KRWDZBQOSA-N 1 2 452.584 2.978 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCC(=O)NCCC)CC1 ZINC001286474078 1060380201 /nfs/dbraw/zinc/38/02/01/1060380201.db2.gz ZNNFDTQUAFCAIG-UHFFFAOYSA-N 1 2 477.382 2.518 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001286474481 1060383819 /nfs/dbraw/zinc/38/38/19/1060383819.db2.gz GEXGDBDXKBEOHT-UHFFFAOYSA-N 1 2 474.432 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2cnn(C)c2)CC1 ZINC001286474710 1060386298 /nfs/dbraw/zinc/38/62/98/1060386298.db2.gz JXJRHORRQQGHQF-UHFFFAOYSA-N 1 2 474.794 2.898 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001286474701 1060386554 /nfs/dbraw/zinc/38/65/54/1060386554.db2.gz JWUVVIYCHNWLBJ-QGZVFWFLSA-N 1 2 494.459 2.968 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC001286476887 1060393077 /nfs/dbraw/zinc/39/30/77/1060393077.db2.gz IIKRTSOCHPADKW-UHFFFAOYSA-N 1 2 471.487 2.618 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001286478276 1060393512 /nfs/dbraw/zinc/39/35/12/1060393512.db2.gz BIDHMOONULPPGA-SFHVURJKSA-N 1 2 457.447 2.870 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001286478622 1060394517 /nfs/dbraw/zinc/39/45/17/1060394517.db2.gz BVLPOPVQSLFCTH-RTBURBONSA-N 1 2 465.476 2.513 20 30 JFEDLO C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286479614 1060396983 /nfs/dbraw/zinc/39/69/83/1060396983.db2.gz NNPQQDVHAMKGCX-JOCHJYFZSA-N 1 2 465.552 2.985 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](SC)C(C)(C)C)CC1 ZINC001286479915 1060397758 /nfs/dbraw/zinc/39/77/58/1060397758.db2.gz QCAMWBBUDNHJQM-HXUWFJFHSA-N 1 2 479.654 2.725 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 ZINC001286482682 1060406706 /nfs/dbraw/zinc/40/67/06/1060406706.db2.gz VESOVWMQBAXUHH-LJQANCHMSA-N 1 2 473.647 2.550 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CCCOC(F)(F)F)CC1 ZINC001286483891 1060411374 /nfs/dbraw/zinc/41/13/74/1060411374.db2.gz CIYSDSZHOBWJRE-UHFFFAOYSA-N 1 2 453.465 2.547 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001286484367 1060416191 /nfs/dbraw/zinc/41/61/91/1060416191.db2.gz MOPOGOOPJSCZSO-LJQANCHMSA-N 1 2 473.046 2.894 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001286484527 1060418366 /nfs/dbraw/zinc/41/83/66/1060418366.db2.gz QCILZXREEGPHSI-UHFFFAOYSA-N 1 2 464.536 2.805 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001286484596 1060418466 /nfs/dbraw/zinc/41/84/66/1060418466.db2.gz SATGMLONIGBKIW-UHFFFAOYSA-N 1 2 476.046 2.911 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001286484703 1060419414 /nfs/dbraw/zinc/41/94/14/1060419414.db2.gz VHTZAPXOADEMOE-UHFFFAOYSA-N 1 2 476.581 2.851 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(OCC)c(OCC)c2)CC1 ZINC001286485251 1060424218 /nfs/dbraw/zinc/42/42/18/1060424218.db2.gz GTYQTECJGJGWPR-JOCHJYFZSA-N 1 2 453.587 2.925 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001286485599 1060427557 /nfs/dbraw/zinc/42/75/57/1060427557.db2.gz QZZQCDSKTSVKLI-BVSLBCMMSA-N 1 2 474.005 2.798 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2ncccc2N(C)C)CC1 ZINC001286485663 1060428423 /nfs/dbraw/zinc/42/84/23/1060428423.db2.gz UDKOITJOVQSWLG-QFIPXVFZSA-N 1 2 494.644 2.615 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286492766 1060498831 /nfs/dbraw/zinc/49/88/31/1060498831.db2.gz PLKFFCUJVDWOIG-UHFFFAOYSA-N 1 2 487.608 2.641 20 30 JFEDLO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286512905 1060547272 /nfs/dbraw/zinc/54/72/72/1060547272.db2.gz YURNHXOJPSHQFD-UHFFFAOYSA-N 1 2 450.616 2.530 20 30 JFEDLO C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286512977 1060548115 /nfs/dbraw/zinc/54/81/15/1060548115.db2.gz PFELSDAQDUNDKL-TZIWHRDSSA-N 1 2 469.659 2.988 20 30 JFEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC001286589869 1060686282 /nfs/dbraw/zinc/68/62/82/1060686282.db2.gz JFQIOJZBRNFFKC-SFHVURJKSA-N 1 2 461.010 2.838 20 30 JFEDLO C=C(Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001286618105 1060733231 /nfs/dbraw/zinc/73/32/31/1060733231.db2.gz XPFCPUOWLBMHMU-UHFFFAOYSA-N 1 2 461.614 2.987 20 30 JFEDLO C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001286757027 1060883864 /nfs/dbraw/zinc/88/38/64/1060883864.db2.gz CYNOBCNWLCKUBS-SFHVURJKSA-N 1 2 456.547 2.732 20 30 JFEDLO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286779159 1060918610 /nfs/dbraw/zinc/91/86/10/1060918610.db2.gz OYEHMJLQRITYHC-YPAWHYETSA-N 1 2 460.667 2.614 20 30 JFEDLO C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286780768 1060924039 /nfs/dbraw/zinc/92/40/39/1060924039.db2.gz QFYWVLDPRBOMDH-OAQYLSRUSA-N 1 2 493.612 2.956 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001286784531 1060938620 /nfs/dbraw/zinc/93/86/20/1060938620.db2.gz KNONJDUKMNLUHI-OAQYLSRUSA-N 1 2 491.621 2.690 20 30 JFEDLO C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001286788494 1060946220 /nfs/dbraw/zinc/94/62/20/1060946220.db2.gz XOEHJZWLZDSBEP-NRFANRHFSA-N 1 2 489.020 2.676 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001286812900 1061006261 /nfs/dbraw/zinc/00/62/61/1061006261.db2.gz PSNIMRDEOAXFTD-VXKWHMMOSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001286812900 1061006275 /nfs/dbraw/zinc/00/62/75/1061006275.db2.gz PSNIMRDEOAXFTD-VXKWHMMOSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286814927 1061013001 /nfs/dbraw/zinc/01/30/01/1061013001.db2.gz IEXVEKFIRPMLLZ-UHFFFAOYSA-N 1 2 494.459 2.983 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286816072 1061022339 /nfs/dbraw/zinc/02/23/39/1061022339.db2.gz FFRISNXVRYDAFL-QGZVFWFLSA-N 1 2 450.008 2.874 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001286816072 1061022353 /nfs/dbraw/zinc/02/23/53/1061022353.db2.gz FFRISNXVRYDAFL-QGZVFWFLSA-N 1 2 450.008 2.874 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286817715 1061032573 /nfs/dbraw/zinc/03/25/73/1061032573.db2.gz WVLHIXREKJZGPA-UHFFFAOYSA-N 1 2 452.584 2.570 20 30 JFEDLO C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286818281 1061036431 /nfs/dbraw/zinc/03/64/31/1061036431.db2.gz VCHGTUPVXYWTQJ-QFIPXVFZSA-N 1 2 495.653 2.846 20 30 JFEDLO C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286827354 1061075099 /nfs/dbraw/zinc/07/50/99/1061075099.db2.gz LNWUNWAVWWQPKK-INIZCTEOSA-N 1 2 476.050 2.702 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(CCC#N)CC2CC2)CC1 ZINC001286889967 1061352974 /nfs/dbraw/zinc/35/29/74/1061352974.db2.gz KXGNESHFHCJWIK-UHFFFAOYSA-N 1 2 470.021 2.816 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286961915 1061735585 /nfs/dbraw/zinc/73/55/85/1061735585.db2.gz SOKQZXJPXQXIGT-OAHLLOKOSA-N 1 2 485.390 2.911 20 30 JFEDLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286979128 1061805203 /nfs/dbraw/zinc/80/52/03/1061805203.db2.gz KSEVWTWPVNGLTM-SJORKVTESA-N 1 2 467.599 2.584 20 30 JFEDLO CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001287083671 1062245896 /nfs/dbraw/zinc/24/58/96/1062245896.db2.gz UBZZTCFMUBXAKN-UHFFFAOYSA-N 1 2 456.616 2.562 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001290589274 1062401222 /nfs/dbraw/zinc/40/12/22/1062401222.db2.gz FCCBEUCBYUIRPP-NZQKXSOJSA-N 1 2 462.602 2.779 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001290589274 1062401224 /nfs/dbraw/zinc/40/12/24/1062401224.db2.gz FCCBEUCBYUIRPP-NZQKXSOJSA-N 1 2 462.602 2.779 20 30 JFEDLO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001295407704 1063399760 /nfs/dbraw/zinc/39/97/60/1063399760.db2.gz XOWVWXVVPLQDLF-RBUKOAKNSA-N 1 2 474.631 2.986 20 30 JFEDLO CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291365428 1063886310 /nfs/dbraw/zinc/88/63/10/1063886310.db2.gz IHKCSSSBSJNYNL-WIOPSUGQSA-N 1 2 451.619 2.582 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296135486 1064240220 /nfs/dbraw/zinc/24/02/20/1064240220.db2.gz ZGLGXLOAMNCRBN-LEWJYISDSA-N 1 2 451.619 2.991 20 30 JFEDLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC2)C1=O ZINC001164644682 719285249 /nfs/dbraw/zinc/28/52/49/719285249.db2.gz QHDFYKPPOCBLTI-UHFFFAOYSA-N 1 2 470.961 2.553 20 30 JFEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC2)C1=O ZINC001164644682 719285251 /nfs/dbraw/zinc/28/52/51/719285251.db2.gz QHDFYKPPOCBLTI-UHFFFAOYSA-N 1 2 470.961 2.553 20 30 JFEDLO CCCc1cc(C#N)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164828857 720458651 /nfs/dbraw/zinc/45/86/51/720458651.db2.gz BGQNVDHKAPXKLV-IBGZPJMESA-N 1 2 458.994 2.745 20 30 JFEDLO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945858 721971623 /nfs/dbraw/zinc/97/16/23/721971623.db2.gz UDNFDZTYAYGVEK-UHFFFAOYSA-N 1 2 460.991 2.631 20 30 JFEDLO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945858 721971627 /nfs/dbraw/zinc/97/16/27/721971627.db2.gz UDNFDZTYAYGVEK-UHFFFAOYSA-N 1 2 460.991 2.631 20 30 JFEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC001264359428 1059584897 /nfs/dbraw/zinc/58/48/97/1059584897.db2.gz IRISTYRKEAIDGM-UHFFFAOYSA-N 1 2 457.328 2.726 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286276999 1060034504 /nfs/dbraw/zinc/03/45/04/1060034504.db2.gz VPLCEAIZEPQQQN-KJOQGJGQSA-N 1 2 467.614 2.770 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001286300253 1060052991 /nfs/dbraw/zinc/05/29/91/1060052991.db2.gz QBTDSJBTTYKNRY-XMSQKQJNSA-N 1 2 450.612 2.993 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001286300253 1060053017 /nfs/dbraw/zinc/05/30/17/1060053017.db2.gz QBTDSJBTTYKNRY-XMSQKQJNSA-N 1 2 450.612 2.993 20 30 JFEDLO C#CCCCCn1c(N2CC[NH+](Cc3cnc(C)s3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001286336065 1060089895 /nfs/dbraw/zinc/08/98/95/1060089895.db2.gz VCASZTMVBBERKZ-HSZRJFAPSA-N 1 2 458.632 2.821 20 30 JFEDLO C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001286339891 1060095157 /nfs/dbraw/zinc/09/51/57/1060095157.db2.gz RWMBMPYMIXUMCG-FQEVSTJZSA-N 1 2 459.598 2.799 20 30 JFEDLO C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286363248 1060124888 /nfs/dbraw/zinc/12/48/88/1060124888.db2.gz LTCRXWHVPHGZRH-OZXSUGGESA-N 1 2 467.614 2.770 20 30 JFEDLO C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286365949 1060130034 /nfs/dbraw/zinc/13/00/34/1060130034.db2.gz NWXHNOZWAFWCEB-UHFFFAOYSA-N 1 2 452.584 2.708 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382436 1060155033 /nfs/dbraw/zinc/15/50/33/1060155033.db2.gz ATSOZULDWUJKCE-SIKLNZKXSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382436 1060155042 /nfs/dbraw/zinc/15/50/42/1060155042.db2.gz ATSOZULDWUJKCE-SIKLNZKXSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1Cc1c[nH+]ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC001286395698 1060257778 /nfs/dbraw/zinc/25/77/78/1060257778.db2.gz TVXXACOGBLIMQT-FQEVSTJZSA-N 1 2 485.997 2.601 20 30 JFEDLO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286419436 1060307396 /nfs/dbraw/zinc/30/73/96/1060307396.db2.gz XGOOHNDLDQLWPO-UHFFFAOYSA-N 1 2 497.603 2.890 20 30 JFEDLO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001286424105 1060311556 /nfs/dbraw/zinc/31/15/56/1060311556.db2.gz YOUQLLYINAXXKK-RUZDIDTESA-N 1 2 462.529 2.766 20 30 JFEDLO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001286428892 1060319553 /nfs/dbraw/zinc/31/95/53/1060319553.db2.gz YCNOXLOBEOGNAJ-HXUWFJFHSA-N 1 2 480.569 2.501 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001286460676 1060345690 /nfs/dbraw/zinc/34/56/90/1060345690.db2.gz POEULGKUKUHEHI-FQEVSTJZSA-N 1 2 471.565 2.571 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001286469936 1060360336 /nfs/dbraw/zinc/36/03/36/1060360336.db2.gz PAEWIJFYEGIRRB-IFMALSPDSA-N 1 2 485.032 2.678 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2coc(-c3ccccc3)n2)CC1 ZINC001286470114 1060361082 /nfs/dbraw/zinc/36/10/82/1060361082.db2.gz SYDDZALTLNDCSW-UHFFFAOYSA-N 1 2 461.570 2.655 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 ZINC001286471489 1060366448 /nfs/dbraw/zinc/36/64/48/1060366448.db2.gz KYQMWVWYMVQROC-QGZVFWFLSA-N 1 2 468.499 2.807 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(Br)cs2)CC1 ZINC001286472043 1060368330 /nfs/dbraw/zinc/36/83/30/1060368330.db2.gz CXQOEAJYXHAENA-NRFANRHFSA-N 1 2 494.459 2.946 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOC2CCCCCC2)CC1 ZINC001286472804 1060370990 /nfs/dbraw/zinc/37/09/90/1060370990.db2.gz LMWHNQLORXSSOH-VWLOTQADSA-N 1 2 459.635 2.813 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC001286473225 1060373994 /nfs/dbraw/zinc/37/39/94/1060373994.db2.gz IZOUSKCFNGEAIX-PMACEKPBSA-N 1 2 453.587 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2Cc2cc(C)on2)CC1 ZINC001286473491 1060375672 /nfs/dbraw/zinc/37/56/72/1060375672.db2.gz NFHHEFHZHPUNMD-UHFFFAOYSA-N 1 2 471.359 2.816 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(CSC)cc2)CC1 ZINC001286473984 1060379378 /nfs/dbraw/zinc/37/93/78/1060379378.db2.gz ZKGLCJXDJQVZOF-DEOSSOPVSA-N 1 2 455.628 2.597 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC2CCOCC2)CC1 ZINC001286474041 1060380350 /nfs/dbraw/zinc/38/03/50/1060380350.db2.gz XXCIKILHSPQHKD-UHFFFAOYSA-N 1 2 461.408 2.998 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001286474240 1060381949 /nfs/dbraw/zinc/38/19/49/1060381949.db2.gz AVRGGOGIUOBNQK-HXUWFJFHSA-N 1 2 478.975 2.710 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOc2ccc(OC)cc2)CC1 ZINC001286474284 1060381972 /nfs/dbraw/zinc/38/19/72/1060381972.db2.gz GVXCXSQMVNAMRP-UHFFFAOYSA-N 1 2 452.946 2.836 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001286474434 1060382758 /nfs/dbraw/zinc/38/27/58/1060382758.db2.gz JUNCFOXAMRBJTO-FPOVZHCZSA-N 1 2 453.587 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@](C)(O)CCOC)CC1 ZINC001286474477 1060383981 /nfs/dbraw/zinc/38/39/81/1060383981.db2.gz GEAQQYSDSAGXCL-OAQYLSRUSA-N 1 2 452.386 2.795 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCc2nnc(C)s2)CC1 ZINC001286474476 1060384002 /nfs/dbraw/zinc/38/40/02/1060384002.db2.gz KFBBBOAJCHMYEX-UHFFFAOYSA-N 1 2 467.599 2.510 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001286474514 1060384736 /nfs/dbraw/zinc/38/47/36/1060384736.db2.gz LEZZCYOUESTKNV-UHFFFAOYSA-N 1 2 463.973 2.950 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)CC1 ZINC001286474574 1060385668 /nfs/dbraw/zinc/38/56/68/1060385668.db2.gz HZSPYPDOSYHPBL-UHFFFAOYSA-N 1 2 462.355 2.778 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001286474948 1060387953 /nfs/dbraw/zinc/38/79/53/1060387953.db2.gz OWLOXHZPNNDYQO-UHFFFAOYSA-N 1 2 468.403 2.861 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001286474914 1060388150 /nfs/dbraw/zinc/38/81/50/1060388150.db2.gz NHTRRKVMGPHPFN-QGZVFWFLSA-N 1 2 473.419 2.768 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001286475341 1060390330 /nfs/dbraw/zinc/39/03/30/1060390330.db2.gz XEQNSWFFGRRBGC-YCRPNKLZSA-N 1 2 494.821 2.656 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001286476402 1060392210 /nfs/dbraw/zinc/39/22/10/1060392210.db2.gz WOPVORZBAFQJPB-JOCHJYFZSA-N 1 2 470.371 2.964 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCNC(=O)[C@H](C)CCC)CC1 ZINC001286477087 1060393035 /nfs/dbraw/zinc/39/30/35/1060393035.db2.gz NROOMHZDGQWCRH-HXUWFJFHSA-N 1 2 461.614 2.744 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001286477393 1060393685 /nfs/dbraw/zinc/39/36/85/1060393685.db2.gz ZLHOGGRHIDOBAN-UHFFFAOYSA-N 1 2 490.612 2.801 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001286478619 1060394350 /nfs/dbraw/zinc/39/43/50/1060394350.db2.gz BVLPOPVQSLFCTH-RBUKOAKNSA-N 1 2 465.476 2.513 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001286478744 1060394926 /nfs/dbraw/zinc/39/49/26/1060394926.db2.gz FPQYORGTDNLNJI-UHFFFAOYSA-N 1 2 475.544 2.564 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001286479569 1060396196 /nfs/dbraw/zinc/39/61/96/1060396196.db2.gz HLCWPPRDBKVGRJ-RUZDIDTESA-N 1 2 474.650 2.555 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001286479204 1060396390 /nfs/dbraw/zinc/39/63/90/1060396390.db2.gz GFAOLEAVMMJGNQ-LJQANCHMSA-N 1 2 475.540 2.780 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@](C)(O)C(C)C)CC1 ZINC001286479572 1060396820 /nfs/dbraw/zinc/39/68/20/1060396820.db2.gz HLCWPPRDBKVGRJ-VWLOTQADSA-N 1 2 474.650 2.555 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccc(C)cc2)CC1 ZINC001286480086 1060398696 /nfs/dbraw/zinc/39/86/96/1060398696.db2.gz KIKMITLBPJDPMW-JOCHJYFZSA-N 1 2 480.613 2.698 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001286480501 1060399061 /nfs/dbraw/zinc/39/90/61/1060399061.db2.gz YHANBPFBXAECQK-IBGZPJMESA-N 1 2 453.591 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001286481274 1060401150 /nfs/dbraw/zinc/40/11/50/1060401150.db2.gz BGJJCCMSBCOBGF-UHFFFAOYSA-N 1 2 463.611 2.590 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@]2(OC)CCOC2)CC1 ZINC001286483365 1060407877 /nfs/dbraw/zinc/40/78/77/1060407877.db2.gz IEQMKABKCJATRC-RUZDIDTESA-N 1 2 488.032 2.812 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286484338 1060416054 /nfs/dbraw/zinc/41/60/54/1060416054.db2.gz MHFGZPYXRUUROZ-IBGZPJMESA-N 1 2 492.546 2.505 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001286484600 1060418449 /nfs/dbraw/zinc/41/84/49/1060418449.db2.gz SEJOINAQLVGXBA-UHFFFAOYSA-N 1 2 464.570 2.955 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc(Cl)cn2)CC1 ZINC001286484912 1060421403 /nfs/dbraw/zinc/42/14/03/1060421403.db2.gz QGHJFHXQFVXZSI-UHFFFAOYSA-N 1 2 453.978 2.779 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2cccnc2OCC)CC1 ZINC001286485207 1060423285 /nfs/dbraw/zinc/42/32/85/1060423285.db2.gz FRFAVZGMEKQRQJ-NRFANRHFSA-N 1 2 495.628 2.947 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001286486237 1060433658 /nfs/dbraw/zinc/43/36/58/1060433658.db2.gz JOUTYBLXZDUFMC-UHFFFAOYSA-N 1 2 459.598 2.835 20 30 JFEDLO C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286499864 1060522608 /nfs/dbraw/zinc/52/26/08/1060522608.db2.gz PMQPWSZWKVMANY-UHFFFAOYSA-N 1 2 482.610 2.947 20 30 JFEDLO C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286510213 1060542918 /nfs/dbraw/zinc/54/29/18/1060542918.db2.gz MBXUMSJBMLBKAV-UHFFFAOYSA-N 1 2 479.610 2.657 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001286562284 1060640905 /nfs/dbraw/zinc/64/09/05/1060640905.db2.gz JUTDRJFGFLKDRN-NJYVYQBISA-N 1 2 458.651 2.690 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562925 1060643581 /nfs/dbraw/zinc/64/35/81/1060643581.db2.gz MVTAROCUPPAMOX-ZLNRFVROSA-N 1 2 474.694 2.788 20 30 JFEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001286599531 1060700276 /nfs/dbraw/zinc/70/02/76/1060700276.db2.gz WPDNBEGJAZBIIX-XMMPIXPASA-N 1 2 459.566 2.976 20 30 JFEDLO C=C(Cn1c(COCC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC001286618876 1060734141 /nfs/dbraw/zinc/73/41/41/1060734141.db2.gz JOQDLKBDMUTPJC-NRFANRHFSA-N 1 2 452.603 2.661 20 30 JFEDLO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286622639 1060739442 /nfs/dbraw/zinc/73/94/42/1060739442.db2.gz JJFBFUFPSAIERM-OAQYLSRUSA-N 1 2 490.008 2.837 20 30 JFEDLO C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286647005 1060763487 /nfs/dbraw/zinc/76/34/87/1060763487.db2.gz YJXGNTFLDXQYQA-TZIWHRDSSA-N 1 2 459.616 2.648 20 30 JFEDLO C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286647004 1060763613 /nfs/dbraw/zinc/76/36/13/1060763613.db2.gz YJXGNTFLDXQYQA-PZJWPPBQSA-N 1 2 459.616 2.648 20 30 JFEDLO C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286731330 1060850240 /nfs/dbraw/zinc/85/02/40/1060850240.db2.gz IEJKSNSLUBLLIA-BGYRXZFFSA-N 1 2 483.617 2.951 20 30 JFEDLO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001289734691 1061345056 /nfs/dbraw/zinc/34/50/56/1061345056.db2.gz BMOLWRPPVRAGRX-XMMPIXPASA-N 1 2 469.565 2.700 20 30 JFEDLO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001289734691 1061345077 /nfs/dbraw/zinc/34/50/77/1061345077.db2.gz BMOLWRPPVRAGRX-XMMPIXPASA-N 1 2 469.565 2.700 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC001286890324 1061353906 /nfs/dbraw/zinc/35/39/06/1061353906.db2.gz OMPQHRUZTDYTNI-UHFFFAOYSA-N 1 2 461.614 2.806 20 30 JFEDLO CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286932062 1061559695 /nfs/dbraw/zinc/55/96/95/1061559695.db2.gz KOMIJJZKOQZPCI-UHFFFAOYSA-N 1 2 458.570 2.679 20 30 JFEDLO COc1ccc(-c2nn(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2C=O)cc1 ZINC001290400038 1062100981 /nfs/dbraw/zinc/10/09/81/1062100981.db2.gz HXJTXTFMBVTUTI-UHFFFAOYSA-N 1 2 457.534 2.977 20 30 JFEDLO COc1ccc(-c2nn(CC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2C=O)cc1 ZINC001290400038 1062100987 /nfs/dbraw/zinc/10/09/87/1062100987.db2.gz HXJTXTFMBVTUTI-UHFFFAOYSA-N 1 2 457.534 2.977 20 30 JFEDLO CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287084620 1062253339 /nfs/dbraw/zinc/25/33/39/1062253339.db2.gz UEMHBLJZKGHAAQ-GSTQUKTASA-N 1 2 470.643 2.665 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001290589277 1062401227 /nfs/dbraw/zinc/40/12/27/1062401227.db2.gz FCCBEUCBYUIRPP-REWPJTCUSA-N 1 2 462.602 2.779 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001290589277 1062401229 /nfs/dbraw/zinc/40/12/29/1062401229.db2.gz FCCBEUCBYUIRPP-REWPJTCUSA-N 1 2 462.602 2.779 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295336649 1063259688 /nfs/dbraw/zinc/25/96/88/1063259688.db2.gz USTJATGCDZBPLJ-UHFFFAOYSA-N 1 2 492.653 2.929 20 30 JFEDLO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291186622 1063291875 /nfs/dbraw/zinc/29/18/75/1063291875.db2.gz HRMQNZRGNOOWSV-RTBURBONSA-N 1 2 488.658 2.575 20 30 JFEDLO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001295407687 1063399800 /nfs/dbraw/zinc/39/98/00/1063399800.db2.gz XOWVWXVVPLQDLF-MOPGFXCFSA-N 1 2 474.631 2.986 20 30 JFEDLO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295834086 1063849880 /nfs/dbraw/zinc/84/98/80/1063849880.db2.gz PLJVINVFJGFAKM-SFHVURJKSA-N 1 2 484.548 2.714 20 30 JFEDLO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295834086 1063849897 /nfs/dbraw/zinc/84/98/97/1063849897.db2.gz PLJVINVFJGFAKM-SFHVURJKSA-N 1 2 484.548 2.714 20 30 JFEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867330 1063902280 /nfs/dbraw/zinc/90/22/80/1063902280.db2.gz MJIBQHRSYBAXAK-RTWAWAEBSA-N 1 2 450.930 2.781 20 30 JFEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867330 1063902291 /nfs/dbraw/zinc/90/22/91/1063902291.db2.gz MJIBQHRSYBAXAK-RTWAWAEBSA-N 1 2 450.930 2.781 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291598284 1064133461 /nfs/dbraw/zinc/13/34/61/1064133461.db2.gz AEAJBLIMOBUHMN-RTBURBONSA-N 1 2 455.582 2.850 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291598284 1064133464 /nfs/dbraw/zinc/13/34/64/1064133464.db2.gz AEAJBLIMOBUHMN-RTBURBONSA-N 1 2 455.582 2.850 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001296132393 1064229695 /nfs/dbraw/zinc/22/96/95/1064229695.db2.gz BHYJTQMOJSUNFV-FQEVSTJZSA-N 1 2 463.586 2.984 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296133905 1064234926 /nfs/dbraw/zinc/23/49/26/1064234926.db2.gz LGIQPNRSAOVAHO-NRFANRHFSA-N 1 2 476.629 2.885 20 30 JFEDLO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291796637 1064305116 /nfs/dbraw/zinc/30/51/16/1064305116.db2.gz LAPAIRYAYDURMD-GOSISDBHSA-N 1 2 473.585 2.547 20 30 JFEDLO CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001296232341 1064470295 /nfs/dbraw/zinc/47/02/95/1064470295.db2.gz RWIVZCBISTZMGY-UHFFFAOYSA-N 1 2 458.570 2.701 20 30 JFEDLO CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001291909497 1064536988 /nfs/dbraw/zinc/53/69/88/1064536988.db2.gz FQQJNINUDUQBNJ-LJQANCHMSA-N 1 2 479.629 2.811 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291997305 1064614468 /nfs/dbraw/zinc/61/44/68/1064614468.db2.gz NLCJPRNDVMPSLA-UHFFFAOYSA-N 1 2 467.618 2.815 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292084636 1064766705 /nfs/dbraw/zinc/76/67/05/1064766705.db2.gz JLPICXBJPWHZGF-BCHFMIIMSA-N 1 2 494.644 2.995 20 30 JFEDLO CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001292272035 1065049644 /nfs/dbraw/zinc/04/96/44/1065049644.db2.gz LIJQIIFHMDMTJU-FQEVSTJZSA-N 1 2 493.656 2.937 20 30 JFEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001164704775 719860027 /nfs/dbraw/zinc/86/00/27/719860027.db2.gz SPANXQULEYNZRZ-PDOGEWKWSA-N 1 2 453.518 2.504 20 30 JFEDLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1C#N ZINC001164823079 720365503 /nfs/dbraw/zinc/36/55/03/720365503.db2.gz AFNLWJPPWIGTKI-UHFFFAOYSA-N 1 2 482.610 2.517 20 30 JFEDLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1C#N ZINC001164823079 720365508 /nfs/dbraw/zinc/36/55/08/720365508.db2.gz AFNLWJPPWIGTKI-UHFFFAOYSA-N 1 2 482.610 2.517 20 30 JFEDLO Cc1ccc([C@@H](C#N)c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164827019 720433772 /nfs/dbraw/zinc/43/37/72/720433772.db2.gz QMJBAOALSLYDBB-DHIUTWEWSA-N 1 2 487.608 2.627 20 30 JFEDLO CCCc1cc(C#N)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164828860 720459691 /nfs/dbraw/zinc/45/96/91/720459691.db2.gz BGQNVDHKAPXKLV-LJQANCHMSA-N 1 2 458.994 2.745 20 30 JFEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164830316 720480065 /nfs/dbraw/zinc/48/00/65/720480065.db2.gz AECAXUIMGHEKAK-SFHVURJKSA-N 1 2 466.973 2.946 20 30 JFEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164833192 720482558 /nfs/dbraw/zinc/48/25/58/720482558.db2.gz NEHTTYWDWCBVLL-OAQYLSRUSA-N 1 2 464.614 2.753 20 30 JFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008327 721708474 /nfs/dbraw/zinc/70/84/74/721708474.db2.gz DZGKCEIRDNZEQR-UHFFFAOYSA-N 1 2 454.651 2.939 20 30 JFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008327 721708475 /nfs/dbraw/zinc/70/84/75/721708475.db2.gz DZGKCEIRDNZEQR-UHFFFAOYSA-N 1 2 454.651 2.939 20 30 JFEDLO N#C[C@H](c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915187 721788919 /nfs/dbraw/zinc/78/89/19/721788919.db2.gz JRSOTXRGMXHVJK-BKMJKUGQSA-N 1 2 474.540 2.774 20 30 JFEDLO N#C[C@H](c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915187 721788922 /nfs/dbraw/zinc/78/89/22/721788922.db2.gz JRSOTXRGMXHVJK-BKMJKUGQSA-N 1 2 474.540 2.774 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286275755 1060033924 /nfs/dbraw/zinc/03/39/24/1060033924.db2.gz UFZLIXSJFUPJDF-SFHVURJKSA-N 1 2 493.999 2.599 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286305242 1060058254 /nfs/dbraw/zinc/05/82/54/1060058254.db2.gz LSLQWFIABPBYPD-ONTLXTELSA-N 1 2 467.614 2.842 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286306742 1060059268 /nfs/dbraw/zinc/05/92/68/1060059268.db2.gz XLZGZJITOXJDPK-JPYJTQIMSA-N 1 2 459.591 2.662 20 30 JFEDLO C#CCCCCn1c(-c2ccccc2OC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286319808 1060080049 /nfs/dbraw/zinc/08/00/49/1060080049.db2.gz WDCUMHXCNDTQKV-LJQANCHMSA-N 1 2 450.587 2.546 20 30 JFEDLO C#CCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286339588 1060095209 /nfs/dbraw/zinc/09/52/09/1060095209.db2.gz OZDFHWSUCKKCTQ-QGZVFWFLSA-N 1 2 485.430 2.910 20 30 JFEDLO C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286384084 1060167578 /nfs/dbraw/zinc/16/75/78/1060167578.db2.gz GYCJTWANZCOVEB-AZUAARDMSA-N 1 2 452.584 2.652 20 30 JFEDLO C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286415550 1060302466 /nfs/dbraw/zinc/30/24/66/1060302466.db2.gz DMISYFWFZCEFEE-UHFFFAOYSA-N 1 2 453.612 2.763 20 30 JFEDLO C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001286416403 1060304038 /nfs/dbraw/zinc/30/40/38/1060304038.db2.gz QYYUNBOCCHKRMV-QFIPXVFZSA-N 1 2 470.577 2.641 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286460501 1060344762 /nfs/dbraw/zinc/34/47/62/1060344762.db2.gz NYOXXWGIQLHMMA-UHFFFAOYSA-N 1 2 484.670 2.526 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286463293 1060350869 /nfs/dbraw/zinc/35/08/69/1060350869.db2.gz LTAQSHQUZGXTND-UHFFFAOYSA-N 1 2 466.973 2.964 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)c2ccccn2)CC1 ZINC001286469473 1060358572 /nfs/dbraw/zinc/35/85/72/1060358572.db2.gz GSFCGWXKBKFXTA-UHFFFAOYSA-N 1 2 492.027 2.990 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001286469836 1060359766 /nfs/dbraw/zinc/35/97/66/1060359766.db2.gz MZUQTVSYIBPJAM-HXUWFJFHSA-N 1 2 489.665 2.501 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2ccc3ccccc32)CC1 ZINC001286469819 1060359902 /nfs/dbraw/zinc/35/99/02/1060359902.db2.gz LYVGHQAYVVQASO-UHFFFAOYSA-N 1 2 461.614 2.997 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC(F)(F)F)CC1 ZINC001286470063 1060361010 /nfs/dbraw/zinc/36/10/10/1060361010.db2.gz RTPHLBDVZSNCTI-UHFFFAOYSA-N 1 2 464.492 2.829 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001286470657 1060362859 /nfs/dbraw/zinc/36/28/59/1060362859.db2.gz AWWDCOAAXYOMLK-GOSISDBHSA-N 1 2 481.576 2.665 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2CCc2nccnc2C)CC1 ZINC001286470795 1060363378 /nfs/dbraw/zinc/36/33/78/1060363378.db2.gz CGYZQEFLACRANP-NRFANRHFSA-N 1 2 475.597 2.913 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCc2nccnc2C)CC1 ZINC001286470796 1060363610 /nfs/dbraw/zinc/36/36/10/1060363610.db2.gz CGYZQEFLACRANP-OAQYLSRUSA-N 1 2 475.597 2.913 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001286471754 1060367162 /nfs/dbraw/zinc/36/71/62/1060367162.db2.gz OAXVUNGRIPFGEG-TZIWHRDSSA-N 1 2 468.577 2.571 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001286472599 1060369833 /nfs/dbraw/zinc/36/98/33/1060369833.db2.gz JVUSFNMOAQLMOI-UHFFFAOYSA-N 1 2 485.430 2.769 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCC(F)(F)F)CC1 ZINC001286473033 1060372453 /nfs/dbraw/zinc/37/24/53/1060372453.db2.gz GYOSPMNFGQTAMG-UHFFFAOYSA-N 1 2 454.478 2.904 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H]2CCCOC2)CC1 ZINC001286473106 1060373088 /nfs/dbraw/zinc/37/30/88/1060373088.db2.gz IJWPUXDZWOEELF-KRWDZBQOSA-N 1 2 474.403 2.898 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C[C@](C)(O)CC)CC1 ZINC001286473359 1060374655 /nfs/dbraw/zinc/37/46/55/1060374655.db2.gz KYTPFAMKCJWRMH-OAQYLSRUSA-N 1 2 462.392 2.632 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(N(CC)CC)nc2)CC1 ZINC001286473393 1060374692 /nfs/dbraw/zinc/37/46/92/1060374692.db2.gz LJBAETQDFPGOLX-UHFFFAOYSA-N 1 2 474.569 2.898 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(CC)(CC)OC)CC1 ZINC001286473609 1060376769 /nfs/dbraw/zinc/37/67/69/1060376769.db2.gz UVDLCLXKUHKZGE-UHFFFAOYSA-N 1 2 487.674 2.507 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001286473813 1060378357 /nfs/dbraw/zinc/37/83/57/1060378357.db2.gz XWNUAKUKEWEHJU-XMMPIXPASA-N 1 2 474.005 2.806 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOc2ccc(OC)cc2)CC1 ZINC001286473930 1060379496 /nfs/dbraw/zinc/37/94/96/1060379496.db2.gz WCMZEMVODRJZTH-UHFFFAOYSA-N 1 2 485.386 2.879 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001286475371 1060390232 /nfs/dbraw/zinc/39/02/32/1060390232.db2.gz XWFZFQHXCOQKMJ-UHFFFAOYSA-N 1 2 495.425 2.827 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(C)COCCO2)CC1 ZINC001286475623 1060390963 /nfs/dbraw/zinc/39/09/63/1060390963.db2.gz CYPGMPNRZXKYLD-SANMLTNESA-N 1 2 483.613 2.693 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cccn2)CC1 ZINC001286475861 1060391917 /nfs/dbraw/zinc/39/19/17/1060391917.db2.gz ITUOCJGNUXIYHM-UHFFFAOYSA-N 1 2 454.376 2.750 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC001286476583 1060392364 /nfs/dbraw/zinc/39/23/64/1060392364.db2.gz ZLTWGIQGCQIGED-UHFFFAOYSA-N 1 2 458.570 2.674 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001286478617 1060394440 /nfs/dbraw/zinc/39/44/40/1060394440.db2.gz BVLPOPVQSLFCTH-OALUTQOASA-N 1 2 465.476 2.513 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCSC(C)C)CC1 ZINC001286478713 1060395056 /nfs/dbraw/zinc/39/50/56/1060395056.db2.gz FIKOGELTAUDVCY-UHFFFAOYSA-N 1 2 465.627 2.572 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001286478875 1060395512 /nfs/dbraw/zinc/39/55/12/1060395512.db2.gz DBNCKZUCRNNSKY-OAQYLSRUSA-N 1 2 496.612 2.849 20 30 JFEDLO C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286479616 1060396782 /nfs/dbraw/zinc/39/67/82/1060396782.db2.gz NNPQQDVHAMKGCX-QFIPXVFZSA-N 1 2 465.552 2.985 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CCC2)CC1 ZINC001286480922 1060400131 /nfs/dbraw/zinc/40/01/31/1060400131.db2.gz RAICPKDXGBDLPV-LJQANCHMSA-N 1 2 458.607 2.532 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001286481330 1060401076 /nfs/dbraw/zinc/40/10/76/1060401076.db2.gz DQRBHHKHQQXKLB-IBGZPJMESA-N 1 2 470.593 2.924 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cc(Br)cn2)CC1 ZINC001286482724 1060406693 /nfs/dbraw/zinc/40/66/93/1060406693.db2.gz XBVSOVHYFFGYEM-UHFFFAOYSA-N 1 2 482.430 2.982 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC001286482507 1060406744 /nfs/dbraw/zinc/40/67/44/1060406744.db2.gz UJBFPTBYVPIHGT-HKBQPEDESA-N 1 2 453.637 2.612 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCOc2ncccc2Cl)CC1 ZINC001286483180 1060407744 /nfs/dbraw/zinc/40/77/44/1060407744.db2.gz AHENLRGNGTZLBC-UHFFFAOYSA-N 1 2 450.974 2.946 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001286483702 1060410114 /nfs/dbraw/zinc/41/01/14/1060410114.db2.gz VGQCPWQBHXFTBZ-UHFFFAOYSA-N 1 2 456.616 2.553 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC(=O)NC(C)C)CC1 ZINC001286484170 1060414148 /nfs/dbraw/zinc/41/41/48/1060414148.db2.gz FNLMVIRQBPGODP-UHFFFAOYSA-N 1 2 452.603 2.569 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001286484914 1060421331 /nfs/dbraw/zinc/42/13/31/1060421331.db2.gz QIWNOVCJPISSHH-UHFFFAOYSA-N 1 2 478.641 2.878 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(COC)CCC2)CC1 ZINC001286485223 1060424370 /nfs/dbraw/zinc/42/43/70/1060424370.db2.gz GCFYHMUOADYRLA-FQEVSTJZSA-N 1 2 472.634 2.922 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2Cc2nnc(C)s2)CC1 ZINC001286485625 1060427419 /nfs/dbraw/zinc/42/74/19/1060427419.db2.gz RRLYDYLXQVAGTF-UHFFFAOYSA-N 1 2 455.613 2.542 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562920 1060643557 /nfs/dbraw/zinc/64/35/57/1060643557.db2.gz MVTAROCUPPAMOX-VABKMULXSA-N 1 2 474.694 2.788 20 30 JFEDLO C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286568898 1060662192 /nfs/dbraw/zinc/66/21/92/1060662192.db2.gz YLMSIVPQKACHIN-GOSISDBHSA-N 1 2 461.636 2.724 20 30 JFEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286589054 1060685196 /nfs/dbraw/zinc/68/51/96/1060685196.db2.gz RXUAEOSOAMGSSU-INIZCTEOSA-N 1 2 458.994 2.972 20 30 JFEDLO C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286597531 1060699073 /nfs/dbraw/zinc/69/90/73/1060699073.db2.gz QMKBNRLPUUOUBR-IBGZPJMESA-N 1 2 456.566 2.705 20 30 JFEDLO C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1)c1ccccc1 ZINC001286617129 1060732166 /nfs/dbraw/zinc/73/21/66/1060732166.db2.gz IJWIODKBBHNRGN-XZOQPEGZSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1)c1ccccc1 ZINC001286617129 1060732180 /nfs/dbraw/zinc/73/21/80/1060732180.db2.gz IJWIODKBBHNRGN-XZOQPEGZSA-N 1 2 487.670 2.831 20 30 JFEDLO C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286621625 1060738402 /nfs/dbraw/zinc/73/84/02/1060738402.db2.gz LJOVRDUFDLXIGP-INIZCTEOSA-N 1 2 464.401 2.879 20 30 JFEDLO C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001286632954 1060753750 /nfs/dbraw/zinc/75/37/50/1060753750.db2.gz NUSJADKKEQJEDR-UHFFFAOYSA-N 1 2 462.957 2.623 20 30 JFEDLO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001286652363 1060768425 /nfs/dbraw/zinc/76/84/25/1060768425.db2.gz WJKZOFJZRIGBKL-LJQANCHMSA-N 1 2 487.674 2.970 20 30 JFEDLO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001286715887 1060840552 /nfs/dbraw/zinc/84/05/52/1060840552.db2.gz XLALOHLSDFPAIG-FQEVSTJZSA-N 1 2 461.010 2.841 20 30 JFEDLO C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001286722690 1060846078 /nfs/dbraw/zinc/84/60/78/1060846078.db2.gz PRFPJJDPRJDBER-UHFFFAOYSA-N 1 2 465.602 2.969 20 30 JFEDLO C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001286722690 1060846091 /nfs/dbraw/zinc/84/60/91/1060846091.db2.gz PRFPJJDPRJDBER-UHFFFAOYSA-N 1 2 465.602 2.969 20 30 JFEDLO C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001286769103 1060900544 /nfs/dbraw/zinc/90/05/44/1060900544.db2.gz PNPVBXONSHXCRW-UHFFFAOYSA-N 1 2 467.961 2.966 20 30 JFEDLO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286769959 1060901675 /nfs/dbraw/zinc/90/16/75/1060901675.db2.gz HCSMMROAMKFFGT-OAHLLOKOSA-N 1 2 459.392 2.683 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001286772932 1060907811 /nfs/dbraw/zinc/90/78/11/1060907811.db2.gz GTJGLWANVYSIPS-LJQANCHMSA-N 1 2 488.589 2.677 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286783834 1060934800 /nfs/dbraw/zinc/93/48/00/1060934800.db2.gz NFFFXUMKPAEAJS-UHFFFAOYSA-N 1 2 490.612 2.804 20 30 JFEDLO C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286827355 1061075012 /nfs/dbraw/zinc/07/50/12/1061075012.db2.gz LNWUNWAVWWQPKK-MRXNPFEDSA-N 1 2 476.050 2.702 20 30 JFEDLO C=CCSCCn1c(-c2ccccc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001286829218 1061076976 /nfs/dbraw/zinc/07/69/76/1061076976.db2.gz GICNNUYESZJATN-UHFFFAOYSA-N 1 2 454.644 2.999 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286960916 1061733930 /nfs/dbraw/zinc/73/39/30/1061733930.db2.gz JYDQWQVYEZPBAT-INIZCTEOSA-N 1 2 499.417 2.922 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286961914 1061735494 /nfs/dbraw/zinc/73/54/94/1061735494.db2.gz SOKQZXJPXQXIGT-HNNXBMFYSA-N 1 2 485.390 2.911 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001286969759 1061746347 /nfs/dbraw/zinc/74/63/47/1061746347.db2.gz ISENDBPUKYZHTA-NTKDMRAZSA-N 1 2 481.626 2.533 20 30 JFEDLO CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001286973414 1061761321 /nfs/dbraw/zinc/76/13/21/1061761321.db2.gz QUUNAMXGMXQRDL-HRFSGMKKSA-N 1 2 493.656 2.793 20 30 JFEDLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1 ZINC001286979703 1061808713 /nfs/dbraw/zinc/80/87/13/1061808713.db2.gz LWRREDWALZANAZ-QZTJIDSGSA-N 1 2 467.599 2.972 20 30 JFEDLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1 ZINC001286979701 1061808843 /nfs/dbraw/zinc/80/88/43/1061808843.db2.gz LWRREDWALZANAZ-MSOLQXFVSA-N 1 2 467.599 2.972 20 30 JFEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(C#N)cc3)nnc1N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC001290287128 1062016578 /nfs/dbraw/zinc/01/65/78/1062016578.db2.gz IEWWGSVGLATVHL-XLIONFOSSA-N 1 2 467.599 2.769 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001290589270 1062401235 /nfs/dbraw/zinc/40/12/35/1062401235.db2.gz FCCBEUCBYUIRPP-NFBKMPQASA-N 1 2 462.602 2.779 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001290589270 1062401237 /nfs/dbraw/zinc/40/12/37/1062401237.db2.gz FCCBEUCBYUIRPP-NFBKMPQASA-N 1 2 462.602 2.779 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 ZINC001295335945 1063254799 /nfs/dbraw/zinc/25/47/99/1063254799.db2.gz IZHVAGCNRNOVEU-UHFFFAOYSA-N 1 2 479.629 2.502 20 30 JFEDLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c[nH+]1 ZINC001295418238 1063423760 /nfs/dbraw/zinc/42/37/60/1063423760.db2.gz CXUPEIRISKSGRV-WMZHIEFXSA-N 1 2 471.631 2.600 20 30 JFEDLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)c[nH+]1 ZINC001295418300 1063424780 /nfs/dbraw/zinc/42/47/80/1063424780.db2.gz FJCNIJQJPPRYMM-LJQANCHMSA-N 1 2 452.588 2.652 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291598283 1064133469 /nfs/dbraw/zinc/13/34/69/1064133469.db2.gz AEAJBLIMOBUHMN-RBUKOAKNSA-N 1 2 455.582 2.850 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291598283 1064133471 /nfs/dbraw/zinc/13/34/71/1064133471.db2.gz AEAJBLIMOBUHMN-RBUKOAKNSA-N 1 2 455.582 2.850 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001296134869 1064237572 /nfs/dbraw/zinc/23/75/72/1064237572.db2.gz RSQKJMLBLXDIHM-OAQYLSRUSA-N 1 2 451.619 2.991 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291987349 1064600536 /nfs/dbraw/zinc/60/05/36/1064600536.db2.gz SESKLQNAPYUXCX-QZTJIDSGSA-N 1 2 468.606 2.603 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292036401 1064700918 /nfs/dbraw/zinc/70/09/18/1064700918.db2.gz RZBJJKYOIKWYFL-UHFFFAOYSA-N 1 2 480.617 2.606 20 30 JFEDLO CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001292272036 1065049611 /nfs/dbraw/zinc/04/96/11/1065049611.db2.gz LIJQIIFHMDMTJU-HXUWFJFHSA-N 1 2 493.656 2.937 20 30 JFEDLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC2)C1=O ZINC001164644648 719284810 /nfs/dbraw/zinc/28/48/10/719284810.db2.gz NYGOZXDPSQSEEK-UHFFFAOYSA-N 1 2 470.961 2.553 20 30 JFEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC2)C1=O ZINC001164644648 719284813 /nfs/dbraw/zinc/28/48/13/719284813.db2.gz NYGOZXDPSQSEEK-UHFFFAOYSA-N 1 2 470.961 2.553 20 30 JFEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(SC)c1C#N ZINC001164706352 719860082 /nfs/dbraw/zinc/86/00/82/719860082.db2.gz WNKWFXQLHOQGRK-UUOWRZLLSA-N 1 2 467.595 2.970 20 30 JFEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5c(cc4C#N)CCCC5)CC3)C2=O)cs1 ZINC001164821136 720379213 /nfs/dbraw/zinc/37/92/13/720379213.db2.gz XAMGFJKUZJADNW-UHFFFAOYSA-N 1 2 450.612 2.910 20 30 JFEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5c(cc4C#N)CCCC5)CC3)C2=O)cs1 ZINC001164821136 720379219 /nfs/dbraw/zinc/37/92/19/720379219.db2.gz XAMGFJKUZJADNW-UHFFFAOYSA-N 1 2 450.612 2.910 20 30 JFEDLO Cc1ccc([C@H](C#N)c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164827021 720433819 /nfs/dbraw/zinc/43/38/19/720433819.db2.gz QMJBAOALSLYDBB-GOTSBHOMSA-N 1 2 487.608 2.627 20 30 JFEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912995 721770941 /nfs/dbraw/zinc/77/09/41/721770941.db2.gz SSZGVUMXMCXIHZ-SQHAQQRYSA-N 1 2 470.577 2.943 20 30 JFEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912995 721770949 /nfs/dbraw/zinc/77/09/49/721770949.db2.gz SSZGVUMXMCXIHZ-SQHAQQRYSA-N 1 2 470.577 2.943 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286279424 1060037635 /nfs/dbraw/zinc/03/76/35/1060037635.db2.gz MFFLSEJHCDOVBR-QRVBRYPASA-N 1 2 473.643 2.694 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286279424 1060037654 /nfs/dbraw/zinc/03/76/54/1060037654.db2.gz MFFLSEJHCDOVBR-QRVBRYPASA-N 1 2 473.643 2.694 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286282029 1060041783 /nfs/dbraw/zinc/04/17/83/1060041783.db2.gz KRBAVWYSFWTXOF-GOSISDBHSA-N 1 2 462.554 2.700 20 30 JFEDLO C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286374532 1060136060 /nfs/dbraw/zinc/13/60/60/1060136060.db2.gz ZZMYOIYYLCODMO-MRXNPFEDSA-N 1 2 452.513 2.717 20 30 JFEDLO C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286374532 1060136071 /nfs/dbraw/zinc/13/60/71/1060136071.db2.gz ZZMYOIYYLCODMO-MRXNPFEDSA-N 1 2 452.513 2.717 20 30 JFEDLO C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001286382061 1060153133 /nfs/dbraw/zinc/15/31/33/1060153133.db2.gz QEENTMXGSIWQBU-NRSPTQNISA-N 1 2 495.628 2.787 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1-n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001286384086 1060168591 /nfs/dbraw/zinc/16/85/91/1060168591.db2.gz GYCJTWANZCOVEB-QUCCMNQESA-N 1 2 452.584 2.652 20 30 JFEDLO C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387216 1060198753 /nfs/dbraw/zinc/19/87/53/1060198753.db2.gz OWIHVAPFDCRLNL-XLIONFOSSA-N 1 2 471.558 2.607 20 30 JFEDLO C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286398028 1060271123 /nfs/dbraw/zinc/27/11/23/1060271123.db2.gz FTGIEEOGMVMXKW-QFIPXVFZSA-N 1 2 497.607 2.721 20 30 JFEDLO C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286398028 1060271137 /nfs/dbraw/zinc/27/11/37/1060271137.db2.gz FTGIEEOGMVMXKW-QFIPXVFZSA-N 1 2 497.607 2.721 20 30 JFEDLO C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286432568 1060323926 /nfs/dbraw/zinc/32/39/26/1060323926.db2.gz OVDPXOACSHWFJK-SANMLTNESA-N 1 2 485.636 2.985 20 30 JFEDLO C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286445044 1060333206 /nfs/dbraw/zinc/33/32/06/1060333206.db2.gz FOQPUXIYBSORLB-LJQANCHMSA-N 1 2 460.623 2.573 20 30 JFEDLO C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001286445044 1060333227 /nfs/dbraw/zinc/33/32/27/1060333227.db2.gz FOQPUXIYBSORLB-LJQANCHMSA-N 1 2 460.623 2.573 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286453649 1060337176 /nfs/dbraw/zinc/33/71/76/1060337176.db2.gz BFTCHZKRQYXNBL-AREMUKBSSA-N 1 2 485.604 2.820 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001286460677 1060345538 /nfs/dbraw/zinc/34/55/38/1060345538.db2.gz POEULGKUKUHEHI-HXUWFJFHSA-N 1 2 471.565 2.571 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(SC)CC2)CC1 ZINC001286469563 1060358793 /nfs/dbraw/zinc/35/87/93/1060358793.db2.gz IZFJBFKLHLYZPK-UHFFFAOYSA-N 1 2 459.019 2.512 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c(C)onc2CC)CC1 ZINC001286469791 1060359936 /nfs/dbraw/zinc/35/99/36/1060359936.db2.gz LPPXVCXLPMEVAC-UHFFFAOYSA-N 1 2 481.988 2.524 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 ZINC001286470194 1060361605 /nfs/dbraw/zinc/36/16/05/1060361605.db2.gz USUVTXLUZHUZLV-OALUTQOASA-N 1 2 464.614 2.884 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCC(=O)N(C)C)CC1 ZINC001286471473 1060366524 /nfs/dbraw/zinc/36/65/24/1060366524.db2.gz KOZKIMYDPOFDOL-LJQANCHMSA-N 1 2 473.021 2.922 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001286471869 1060366993 /nfs/dbraw/zinc/36/69/93/1060366993.db2.gz ONJYMSVVFAOFPP-SFHVURJKSA-N 1 2 460.648 2.754 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(F)cccc2N2CCCC2)CC1 ZINC001286471690 1060367069 /nfs/dbraw/zinc/36/70/69/1060367069.db2.gz MTVURPQGIPPLJQ-FQEVSTJZSA-N 1 2 470.593 2.545 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOc2ccccc2C(C)C)CC1 ZINC001286472545 1060369610 /nfs/dbraw/zinc/36/96/10/1060369610.db2.gz JHVDGWJVHLQKEW-SANMLTNESA-N 1 2 467.614 2.888 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001286473091 1060373260 /nfs/dbraw/zinc/37/32/60/1060373260.db2.gz OJCKWPKEXNGLTC-QHCPKHFHSA-N 1 2 483.414 2.709 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001286473429 1060374726 /nfs/dbraw/zinc/37/47/26/1060374726.db2.gz SGJHJZWOHMPWPK-HHHXNRCGSA-N 1 2 495.672 2.794 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=C)Br)CC1 ZINC001286473578 1060375637 /nfs/dbraw/zinc/37/56/37/1060375637.db2.gz TWWVAYCEQXPTQP-UHFFFAOYSA-N 1 2 454.170 2.700 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001286473803 1060377590 /nfs/dbraw/zinc/37/75/90/1060377590.db2.gz XSEWFVHQYURXHP-JOCHJYFZSA-N 1 2 481.494 2.892 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(CSC)cc2)CC1 ZINC001286473985 1060379531 /nfs/dbraw/zinc/37/95/31/1060379531.db2.gz ZKGLCJXDJQVZOF-XMMPIXPASA-N 1 2 455.628 2.597 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCCc2c[nH]nc2C)CC1 ZINC001286474425 1060382885 /nfs/dbraw/zinc/38/28/85/1060382885.db2.gz JMIYYAUWRMFLFW-UHFFFAOYSA-N 1 2 463.586 2.772 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001286474405 1060382987 /nfs/dbraw/zinc/38/29/87/1060382987.db2.gz IYZLBGJOEQUZQT-RUZDIDTESA-N 1 2 455.603 2.903 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)[C@H](C)CCC)CC1 ZINC001286474821 1060387099 /nfs/dbraw/zinc/38/70/99/1060387099.db2.gz QOIPZPGPGMOLJX-GOSISDBHSA-N 1 2 473.021 2.915 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCC(C)(C)O)CC1 ZINC001286474824 1060387904 /nfs/dbraw/zinc/38/79/04/1060387904.db2.gz QRVGIDSADLFXFE-UHFFFAOYSA-N 1 2 462.392 2.632 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001286475209 1060389583 /nfs/dbraw/zinc/38/95/83/1060389583.db2.gz ZGEQBLDXSJPREO-UHFFFAOYSA-N 1 2 476.581 2.948 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCN(C)CC(F)(F)F)CC1 ZINC001286475620 1060390361 /nfs/dbraw/zinc/39/03/61/1060390361.db2.gz CVTWOYNPWZXIDJ-UHFFFAOYSA-N 1 2 485.352 2.957 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001286476264 1060392327 /nfs/dbraw/zinc/39/23/27/1060392327.db2.gz SFEPNLCLSUCOOA-UHFFFAOYSA-N 1 2 482.585 2.686 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCC(F)(F)F)CC1 ZINC001286476658 1060392958 /nfs/dbraw/zinc/39/29/58/1060392958.db2.gz CIIINAMUYTYMPD-UHFFFAOYSA-N 1 2 471.487 2.788 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC001286478592 1060394149 /nfs/dbraw/zinc/39/41/49/1060394149.db2.gz BTNPBOPZNNOGRC-GOSISDBHSA-N 1 2 459.978 2.646 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2nc(C)cs2)CC1 ZINC001286480935 1060399698 /nfs/dbraw/zinc/39/96/98/1060399698.db2.gz RHFRWVNQEDRVSF-IBGZPJMESA-N 1 2 485.658 2.961 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001286481319 1060401035 /nfs/dbraw/zinc/40/10/35/1060401035.db2.gz CYXRXTVOVPPMBO-UHFFFAOYSA-N 1 2 465.570 2.517 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCCOCC2CC2)CC1 ZINC001286481381 1060402177 /nfs/dbraw/zinc/40/21/77/1060402177.db2.gz UWZACQLIADRCAL-QFIPXVFZSA-N 1 2 486.661 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)CC1 ZINC001286481395 1060402294 /nfs/dbraw/zinc/40/22/94/1060402294.db2.gz VDNHCLAVGYTJHI-HXUWFJFHSA-N 1 2 474.650 2.699 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001286481428 1060402317 /nfs/dbraw/zinc/40/23/17/1060402317.db2.gz VOKUVLADRPHVRT-KNQAVFIVSA-N 1 2 496.612 2.707 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OCC)n2Cc2c(C)onc2CC)CC1 ZINC001286483847 1060411200 /nfs/dbraw/zinc/41/12/00/1060411200.db2.gz AVDWRQUKWBFVQM-UHFFFAOYSA-N 1 2 464.570 2.918 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2sc(C)nc2C)CC1 ZINC001286483884 1060411224 /nfs/dbraw/zinc/41/12/24/1060411224.db2.gz CDAGKYRBCPITIT-UHFFFAOYSA-N 1 2 452.584 2.743 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nnc(CC)s2)CC1 ZINC001286483844 1060411356 /nfs/dbraw/zinc/41/13/56/1060411356.db2.gz AOIVUULWDIIXBJ-UHFFFAOYSA-N 1 2 457.991 2.728 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OCC)n2Cc2ccc(F)cn2)CC1 ZINC001286483917 1060412158 /nfs/dbraw/zinc/41/21/58/1060412158.db2.gz DAHXIONIDBVFPA-UHFFFAOYSA-N 1 2 450.518 2.593 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccncc2Cl)CC1 ZINC001286484130 1060414131 /nfs/dbraw/zinc/41/41/31/1060414131.db2.gz IQSKFTBXNNIBFI-UHFFFAOYSA-N 1 2 452.946 2.718 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001286484260 1060415391 /nfs/dbraw/zinc/41/53/91/1060415391.db2.gz KNSHZIQBIJDOAL-UHFFFAOYSA-N 1 2 472.471 2.796 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2sccc2Br)CC1 ZINC001286485519 1060426389 /nfs/dbraw/zinc/42/63/89/1060426389.db2.gz ORYVAYAUDVXXCJ-YJBOKZPZSA-N 1 2 480.432 2.630 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001286485776 1060429315 /nfs/dbraw/zinc/42/93/15/1060429315.db2.gz XYNVJEVWNJQTEC-DRLORSAXSA-N 1 2 469.605 2.999 20 30 JFEDLO C#CCSCCn1c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001286513055 1060548082 /nfs/dbraw/zinc/54/80/82/1060548082.db2.gz QDAWGIYQOMHGJG-VWLOTQADSA-N 1 2 499.685 2.845 20 30 JFEDLO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001286604849 1060711121 /nfs/dbraw/zinc/71/11/21/1060711121.db2.gz CVVNQVPLSSNOOL-NRFANRHFSA-N 1 2 491.640 2.979 20 30 JFEDLO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286622637 1060739515 /nfs/dbraw/zinc/73/95/15/1060739515.db2.gz JJFBFUFPSAIERM-NRFANRHFSA-N 1 2 490.008 2.837 20 30 JFEDLO C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286647003 1060763571 /nfs/dbraw/zinc/76/35/71/1060763571.db2.gz YJXGNTFLDXQYQA-FPOVZHCZSA-N 1 2 459.616 2.648 20 30 JFEDLO C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001286670907 1060782789 /nfs/dbraw/zinc/78/27/89/1060782789.db2.gz OSHLDUALTRRXAK-UHFFFAOYSA-N 1 2 451.619 2.995 20 30 JFEDLO C=CCCCCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286685754 1060798260 /nfs/dbraw/zinc/79/82/60/1060798260.db2.gz YJFXPNAJXJUKMR-JOCHJYFZSA-N 1 2 453.635 2.928 20 30 JFEDLO C=CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286692665 1060805035 /nfs/dbraw/zinc/80/50/35/1060805035.db2.gz LEEGZWIZPZIQMU-MRXNPFEDSA-N 1 2 490.450 2.801 20 30 JFEDLO C=CCN(Cc1ccccc1)c1nnc(Cc2cccnc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286745924 1060871183 /nfs/dbraw/zinc/87/11/83/1060871183.db2.gz KVYMPLKBZAUHNW-UHFFFAOYSA-N 1 2 459.598 2.621 20 30 JFEDLO C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286762707 1060888476 /nfs/dbraw/zinc/88/84/76/1060888476.db2.gz KJHYBCUWRFYKQE-HSZRJFAPSA-N 1 2 452.603 2.529 20 30 JFEDLO C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286773423 1060909229 /nfs/dbraw/zinc/90/92/29/1060909229.db2.gz NMAOPQMRJVILQG-FQEVSTJZSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286777713 1060914447 /nfs/dbraw/zinc/91/44/47/1060914447.db2.gz ILQRTDSMEMAEKS-OAQYLSRUSA-N 1 2 486.686 2.996 20 30 JFEDLO C=CCn1c(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286778248 1060915541 /nfs/dbraw/zinc/91/55/41/1060915541.db2.gz WPZIQSRMFBTEEZ-DEOSSOPVSA-N 1 2 459.566 2.975 20 30 JFEDLO C=CCn1c(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286778249 1060915701 /nfs/dbraw/zinc/91/57/01/1060915701.db2.gz WPZIQSRMFBTEEZ-XMMPIXPASA-N 1 2 459.566 2.975 20 30 JFEDLO C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286779716 1060921079 /nfs/dbraw/zinc/92/10/79/1060921079.db2.gz KHWBMCJOCCSAPA-QGZVFWFLSA-N 1 2 479.560 2.883 20 30 JFEDLO C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286780765 1060924162 /nfs/dbraw/zinc/92/41/62/1060924162.db2.gz QFYWVLDPRBOMDH-NRFANRHFSA-N 1 2 493.612 2.956 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001286785107 1060940077 /nfs/dbraw/zinc/94/00/77/1060940077.db2.gz FAWQGLQRXBHERD-UHFFFAOYSA-N 1 2 453.978 2.561 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286798514 1060979343 /nfs/dbraw/zinc/97/93/43/1060979343.db2.gz IONJXVNVJKYVCS-SFHLNBCPSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001286798514 1060979363 /nfs/dbraw/zinc/97/93/63/1060979363.db2.gz IONJXVNVJKYVCS-SFHLNBCPSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286815653 1061019156 /nfs/dbraw/zinc/01/91/56/1061019156.db2.gz CPNRKAOGXWPVLV-MRXNPFEDSA-N 1 2 468.023 2.738 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001286815653 1061019167 /nfs/dbraw/zinc/01/91/67/1061019167.db2.gz CPNRKAOGXWPVLV-MRXNPFEDSA-N 1 2 468.023 2.738 20 30 JFEDLO C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286833073 1061083210 /nfs/dbraw/zinc/08/32/10/1061083210.db2.gz UQCNIOLBVYRERR-YADHBBJMSA-N 1 2 478.707 2.670 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001286890770 1061356427 /nfs/dbraw/zinc/35/64/27/1061356427.db2.gz QRGLUSLOLFMSJK-DFBJGRDBSA-N 1 2 483.592 2.851 20 30 JFEDLO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287084621 1062253172 /nfs/dbraw/zinc/25/31/72/1062253172.db2.gz UEMHBLJZKGHAAQ-PPGPUPIYSA-N 1 2 470.643 2.665 20 30 JFEDLO CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287084619 1062253203 /nfs/dbraw/zinc/25/32/03/1062253203.db2.gz UEMHBLJZKGHAAQ-AUSOSSAASA-N 1 2 470.643 2.665 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC001290591164 1062407256 /nfs/dbraw/zinc/40/72/56/1062407256.db2.gz OZPOXOXKLSWVGC-QFIPXVFZSA-N 1 2 475.645 2.696 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC001290591163 1062407369 /nfs/dbraw/zinc/40/73/69/1062407369.db2.gz OZPOXOXKLSWVGC-JOCHJYFZSA-N 1 2 475.645 2.696 20 30 JFEDLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001290932609 1062808256 /nfs/dbraw/zinc/80/82/56/1062808256.db2.gz ZCFPFYAIJUITHO-QGZVFWFLSA-N 1 2 465.558 2.691 20 30 JFEDLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001290932609 1062808276 /nfs/dbraw/zinc/80/82/76/1062808276.db2.gz ZCFPFYAIJUITHO-QGZVFWFLSA-N 1 2 465.558 2.691 20 30 JFEDLO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186621 1063291440 /nfs/dbraw/zinc/29/14/40/1063291440.db2.gz HRMQNZRGNOOWSV-OALUTQOASA-N 1 2 488.658 2.575 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001296132287 1064229336 /nfs/dbraw/zinc/22/93/36/1064229336.db2.gz AJSKMLJJKWHETC-IBGZPJMESA-N 1 2 455.582 2.762 20 30 JFEDLO CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001291909496 1064536578 /nfs/dbraw/zinc/53/65/78/1064536578.db2.gz FQQJNINUDUQBNJ-IBGZPJMESA-N 1 2 479.629 2.811 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291987348 1064599864 /nfs/dbraw/zinc/59/98/64/1064599864.db2.gz SESKLQNAPYUXCX-MSOLQXFVSA-N 1 2 468.606 2.603 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(C#N)o1 ZINC001292075706 1064755544 /nfs/dbraw/zinc/75/55/44/1064755544.db2.gz YQOGBRAVUCYRMY-UHFFFAOYSA-N 1 2 462.558 2.733 20 30 JFEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C2)C1 ZINC001164725887 720311798 /nfs/dbraw/zinc/31/17/98/720311798.db2.gz XATPQRORHVQDOK-JOCHJYFZSA-N 1 2 463.916 2.703 20 30 JFEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C2)C1 ZINC001164725887 720311801 /nfs/dbraw/zinc/31/18/01/720311801.db2.gz XATPQRORHVQDOK-JOCHJYFZSA-N 1 2 463.916 2.703 20 30 JFEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164824338 720434009 /nfs/dbraw/zinc/43/40/09/720434009.db2.gz KUGCXEGAEWDHJW-OAQYLSRUSA-N 1 2 476.556 2.945 20 30 JFEDLO Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164829927 720465470 /nfs/dbraw/zinc/46/54/70/720465470.db2.gz IABPRXNGLCEXLK-JOCHJYFZSA-N 1 2 467.690 2.805 20 30 JFEDLO CN1CC[NH+](Cc2cc3nc(N(CCC#N)C4CCCC4)nc(N4CCOCC4)c3s2)CC1 ZINC001165017227 721835784 /nfs/dbraw/zinc/83/57/84/721835784.db2.gz IQVLPMKIUGDZDF-UHFFFAOYSA-N 1 2 469.659 2.938 20 30 JFEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943764 721971876 /nfs/dbraw/zinc/97/18/76/721971876.db2.gz DTCLZEJUVIEHML-UHFFFAOYSA-N 1 2 467.957 2.754 20 30 JFEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943764 721971880 /nfs/dbraw/zinc/97/18/80/721971880.db2.gz DTCLZEJUVIEHML-UHFFFAOYSA-N 1 2 467.957 2.754 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286277000 1060035093 /nfs/dbraw/zinc/03/50/93/1060035093.db2.gz VPLCEAIZEPQQQN-POGFHVCPSA-N 1 2 467.614 2.770 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001286308811 1060061822 /nfs/dbraw/zinc/06/18/22/1060061822.db2.gz DNGIIJUAJCJFIS-UHFFFAOYSA-N 1 2 466.549 2.906 20 30 JFEDLO C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286346154 1060100100 /nfs/dbraw/zinc/10/01/00/1060100100.db2.gz WCINWKOIRVSBOB-UHFFFAOYSA-N 1 2 450.543 2.994 20 30 JFEDLO C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286359127 1060118125 /nfs/dbraw/zinc/11/81/25/1060118125.db2.gz QUFKYAFSTZTZBR-FQEVSTJZSA-N 1 2 473.585 2.717 20 30 JFEDLO C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286359127 1060118134 /nfs/dbraw/zinc/11/81/34/1060118134.db2.gz QUFKYAFSTZTZBR-FQEVSTJZSA-N 1 2 473.585 2.717 20 30 JFEDLO C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001286359186 1060119139 /nfs/dbraw/zinc/11/91/39/1060119139.db2.gz XPDJIZMQMCTWOQ-CVDCTZTESA-N 1 2 471.577 2.885 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286384087 1060168528 /nfs/dbraw/zinc/16/85/28/1060168528.db2.gz GYCJTWANZCOVEB-UYAOXDASSA-N 1 2 452.584 2.652 20 30 JFEDLO C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N(C)C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001286385320 1060175372 /nfs/dbraw/zinc/17/53/72/1060175372.db2.gz WITLQACKJAWOEU-FQEVSTJZSA-N 1 2 485.013 2.735 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385882 1060181893 /nfs/dbraw/zinc/18/18/93/1060181893.db2.gz QMUHBDDATAWSGU-VIZSFHNOSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385882 1060181896 /nfs/dbraw/zinc/18/18/96/1060181896.db2.gz QMUHBDDATAWSGU-VIZSFHNOSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387212 1060198654 /nfs/dbraw/zinc/19/86/54/1060198654.db2.gz OWIHVAPFDCRLNL-FXAWDEMLSA-N 1 2 471.558 2.607 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286393200 1060242389 /nfs/dbraw/zinc/24/23/89/1060242389.db2.gz KUUCOIQQRPSYAP-LEWJYISDSA-N 1 2 475.634 2.935 20 30 JFEDLO C#CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001286393889 1060244546 /nfs/dbraw/zinc/24/45/46/1060244546.db2.gz LGNDQUISSWMNNG-QFIPXVFZSA-N 1 2 484.670 2.783 20 30 JFEDLO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001286421981 1060309481 /nfs/dbraw/zinc/30/94/81/1060309481.db2.gz SWHRHLJYIWDZRU-UHFFFAOYSA-N 1 2 472.574 2.702 20 30 JFEDLO C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001286434473 1060326255 /nfs/dbraw/zinc/32/62/55/1060326255.db2.gz LCZSCQQKCNWNLQ-AREMUKBSSA-N 1 2 495.649 2.537 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001286469939 1060360276 /nfs/dbraw/zinc/36/02/76/1060360276.db2.gz PAEWIJFYEGIRRB-UNMCSNQZSA-N 1 2 485.032 2.678 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC=CCC2)CC1 ZINC001286469909 1060360541 /nfs/dbraw/zinc/36/05/41/1060360541.db2.gz OCNFFXKSYWGARH-FQEVSTJZSA-N 1 2 452.990 2.973 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 ZINC001286470196 1060361528 /nfs/dbraw/zinc/36/15/28/1060361528.db2.gz USUVTXLUZHUZLV-RBUKOAKNSA-N 1 2 464.614 2.884 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(F)(F)Br)CC1 ZINC001286470458 1060362936 /nfs/dbraw/zinc/36/29/36/1060362936.db2.gz ZINLYVMARRBVRK-UHFFFAOYSA-N 1 2 481.345 2.890 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001286471511 1060366362 /nfs/dbraw/zinc/36/63/62/1060366362.db2.gz LEQXNDHOUJONJI-LJQANCHMSA-N 1 2 468.577 2.761 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001286472003 1060367776 /nfs/dbraw/zinc/36/77/76/1060367776.db2.gz PWCKAOOMDACVQB-IBGZPJMESA-N 1 2 484.576 2.791 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCC)c(OC)c2)CC1 ZINC001286472158 1060368137 /nfs/dbraw/zinc/36/81/37/1060368137.db2.gz VTRCPNCGINHBSC-UHFFFAOYSA-N 1 2 480.613 2.505 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CC)Oc2ccccc2F)CC1 ZINC001286472422 1060369128 /nfs/dbraw/zinc/36/91/28/1060369128.db2.gz HPDUKAFBYDZFMF-CPJSRVTESA-N 1 2 471.577 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NCC=C)CC1 ZINC001286472480 1060369471 /nfs/dbraw/zinc/36/94/71/1060369471.db2.gz UERUGLRNDVMUPS-IBGZPJMESA-N 1 2 471.005 2.746 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCNC(=O)C(C)C)CC1 ZINC001286472779 1060371071 /nfs/dbraw/zinc/37/10/71/1060371071.db2.gz KTYCKMMBSGEYEI-UHFFFAOYSA-N 1 2 477.638 2.904 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 ZINC001286472845 1060371807 /nfs/dbraw/zinc/37/18/07/1060371807.db2.gz LXUFXYWGYKFCHT-QFQXNSOFSA-N 1 2 483.613 2.550 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001286473088 1060373327 /nfs/dbraw/zinc/37/33/27/1060373327.db2.gz OJCKWPKEXNGLTC-HSZRJFAPSA-N 1 2 483.414 2.709 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001286473328 1060374827 /nfs/dbraw/zinc/37/48/27/1060374827.db2.gz QMDXHFQVJYMRQC-SANMLTNESA-N 1 2 467.614 2.672 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H](F)COC)CC1 ZINC001286474234 1060381963 /nfs/dbraw/zinc/38/19/63/1060381963.db2.gz AUPQFOGSVJJPDG-KRWDZBQOSA-N 1 2 450.356 2.756 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H](F)COC)CC1 ZINC001286474236 1060382112 /nfs/dbraw/zinc/38/21/12/1060382112.db2.gz AUPQFOGSVJJPDG-QGZVFWFLSA-N 1 2 450.356 2.756 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccnc2OCCC)CC1 ZINC001286474628 1060385590 /nfs/dbraw/zinc/38/55/90/1060385590.db2.gz NXMKQUQQTFSDQF-UHFFFAOYSA-N 1 2 451.962 2.981 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC(C)(C)OC)CC1 ZINC001286474869 1060388187 /nfs/dbraw/zinc/38/81/87/1060388187.db2.gz SLJMTKRASVTPTB-UHFFFAOYSA-N 1 2 462.392 2.896 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001286475200 1060389705 /nfs/dbraw/zinc/38/97/05/1060389705.db2.gz ZDDYIVARFGOOIT-UHFFFAOYSA-N 1 2 452.946 2.836 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(CCC)CC2)CC1 ZINC001286478937 1060395559 /nfs/dbraw/zinc/39/55/59/1060395559.db2.gz DVVMYFSQQRKVJY-HXUWFJFHSA-N 1 2 472.634 2.922 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(C(=O)NCC)CCC2)CC1 ZINC001286479400 1060396231 /nfs/dbraw/zinc/39/62/31/1060396231.db2.gz RKZICRGNSGWJOS-UHFFFAOYSA-N 1 2 455.006 2.584 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCCOC2)CC1 ZINC001286479245 1060396352 /nfs/dbraw/zinc/39/63/52/1060396352.db2.gz GIEKMNIUGJLSDV-HXUWFJFHSA-N 1 2 472.634 2.574 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(O)cc2)CC1 ZINC001286480352 1060398284 /nfs/dbraw/zinc/39/82/84/1060398284.db2.gz MAAYJZUIBBJIIV-UHFFFAOYSA-N 1 2 480.613 2.902 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2csc([C@H](C)OC)n2)CC1 ZINC001286481257 1060401199 /nfs/dbraw/zinc/40/11/99/1060401199.db2.gz APDBONKLUOUXPQ-HNNXBMFYSA-N 1 2 457.629 2.601 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001286481431 1060402108 /nfs/dbraw/zinc/40/21/08/1060402108.db2.gz VOKUVLADRPHVRT-SIKLNZKXSA-N 1 2 496.612 2.707 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)cc2OCCOC)CC1 ZINC001286481436 1060402342 /nfs/dbraw/zinc/40/23/42/1060402342.db2.gz VOSDORZHPDMCIX-JOCHJYFZSA-N 1 2 453.587 2.657 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2C)CC1 ZINC001286481796 1060403338 /nfs/dbraw/zinc/40/33/38/1060403338.db2.gz XTJBBTFUTIJNBV-JOCHJYFZSA-N 1 2 480.613 2.698 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001286481920 1060404688 /nfs/dbraw/zinc/40/46/88/1060404688.db2.gz KNDIWERETKDEGJ-NRFANRHFSA-N 1 2 482.629 2.936 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286482258 1060405696 /nfs/dbraw/zinc/40/56/96/1060405696.db2.gz OBWAFLVIKUKYRE-GOSISDBHSA-N 1 2 464.511 2.647 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(NC(=O)OC)c2)CC1 ZINC001286482771 1060406813 /nfs/dbraw/zinc/40/68/13/1060406813.db2.gz YRUTWWSJAOBIQU-UHFFFAOYSA-N 1 2 450.568 2.912 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 ZINC001286483317 1060407971 /nfs/dbraw/zinc/40/79/71/1060407971.db2.gz GOOVOXGAOUMFPH-UHFFFAOYSA-N 1 2 453.587 2.840 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001286484258 1060415255 /nfs/dbraw/zinc/41/52/55/1060415255.db2.gz KNLPWPRQTGEITO-UHFFFAOYSA-N 1 2 486.951 2.658 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001286484793 1060419551 /nfs/dbraw/zinc/41/95/51/1060419551.db2.gz XSDGGGOMBVWXQQ-UHFFFAOYSA-N 1 2 464.545 2.982 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@](C)(OC)C2CC2)CC1 ZINC001286485020 1060421362 /nfs/dbraw/zinc/42/13/62/1060421362.db2.gz ANSVOPNXVRQKEE-KNOQFWTLSA-N 1 2 472.634 2.619 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2Cc2cccnc2OC)CC1 ZINC001286485518 1060426500 /nfs/dbraw/zinc/42/65/00/1060426500.db2.gz OQDHJNSICMXJGT-UHFFFAOYSA-N 1 2 464.595 2.786 20 30 JFEDLO C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286485828 1060430516 /nfs/dbraw/zinc/43/05/16/1060430516.db2.gz ZYZVZMLKFZXYGH-UHFFFAOYSA-N 1 2 464.595 2.786 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286485955 1060431432 /nfs/dbraw/zinc/43/14/32/1060431432.db2.gz DIQGQFYWZBUIDG-HXUWFJFHSA-N 1 2 458.557 2.948 20 30 JFEDLO C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286505634 1060533150 /nfs/dbraw/zinc/53/31/50/1060533150.db2.gz HGSYWFGPYNXLOZ-UHFFFAOYSA-N 1 2 451.575 2.799 20 30 JFEDLO C#CCSCCn1c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001286513054 1060548152 /nfs/dbraw/zinc/54/81/52/1060548152.db2.gz QDAWGIYQOMHGJG-RUZDIDTESA-N 1 2 499.685 2.845 20 30 JFEDLO C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286542059 1060586181 /nfs/dbraw/zinc/58/61/81/1060586181.db2.gz GQJMRXLHRZMMDS-UHFFFAOYSA-N 1 2 475.395 2.667 20 30 JFEDLO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286551731 1060612419 /nfs/dbraw/zinc/61/24/19/1060612419.db2.gz IWZVFJRWBFBEDG-AUSIDOKSSA-N 1 2 471.602 2.712 20 30 JFEDLO C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001286627262 1060747092 /nfs/dbraw/zinc/74/70/92/1060747092.db2.gz BSCSAIOZXSWLLP-QGZVFWFLSA-N 1 2 465.385 2.836 20 30 JFEDLO C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286721113 1060845084 /nfs/dbraw/zinc/84/50/84/1060845084.db2.gz ZXXVUELBKVLMFI-UHFFFAOYSA-N 1 2 450.543 2.864 20 30 JFEDLO C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001286749420 1060876803 /nfs/dbraw/zinc/87/68/03/1060876803.db2.gz ROKIZSSFJXNTCO-INIZCTEOSA-N 1 2 459.597 2.886 20 30 JFEDLO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001286769958 1060901547 /nfs/dbraw/zinc/90/15/47/1060901547.db2.gz HCSMMROAMKFFGT-HNNXBMFYSA-N 1 2 459.392 2.683 20 30 JFEDLO C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286780959 1060924605 /nfs/dbraw/zinc/92/46/05/1060924605.db2.gz SKPGVKFPZNKYMV-QGZVFWFLSA-N 1 2 479.560 2.883 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286800646 1060984291 /nfs/dbraw/zinc/98/42/91/1060984291.db2.gz OHGPAJHUQODPOA-TZIWHRDSSA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286800643 1060984340 /nfs/dbraw/zinc/98/43/40/1060984340.db2.gz OHGPAJHUQODPOA-CTNGQTDRSA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001286812899 1061006314 /nfs/dbraw/zinc/00/63/14/1061006314.db2.gz PSNIMRDEOAXFTD-FGZHOGPDSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001286812899 1061006338 /nfs/dbraw/zinc/00/63/38/1061006338.db2.gz PSNIMRDEOAXFTD-FGZHOGPDSA-N 1 2 455.603 2.976 20 30 JFEDLO CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001286966776 1061741428 /nfs/dbraw/zinc/74/14/28/1061741428.db2.gz VRLRUDHQKUAXTQ-IBGZPJMESA-N 1 2 492.628 2.943 20 30 JFEDLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286979125 1061805084 /nfs/dbraw/zinc/80/50/84/1061805084.db2.gz KSEVWTWPVNGLTM-IRXDYDNUSA-N 1 2 467.599 2.584 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001295335533 1063253308 /nfs/dbraw/zinc/25/33/08/1063253308.db2.gz AVNSNKFSHJVKLB-RBBKRZOGSA-N 1 2 467.593 2.945 20 30 JFEDLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)c[nH+]1 ZINC001295418236 1063423837 /nfs/dbraw/zinc/42/38/37/1063423837.db2.gz CXUPEIRISKSGRV-AUSIDOKSSA-N 1 2 471.631 2.600 20 30 JFEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309092 1063733265 /nfs/dbraw/zinc/73/32/65/1063733265.db2.gz YIOCKJZTHKMUET-VAMGGRTRSA-N 1 2 475.638 2.852 20 30 JFEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309092 1063733280 /nfs/dbraw/zinc/73/32/80/1063733280.db2.gz YIOCKJZTHKMUET-VAMGGRTRSA-N 1 2 475.638 2.852 20 30 JFEDLO CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001295779722 1063786064 /nfs/dbraw/zinc/78/60/64/1063786064.db2.gz BIHCCWUKKKKWQP-LJQANCHMSA-N 1 2 451.552 2.642 20 30 JFEDLO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001291337608 1063805272 /nfs/dbraw/zinc/80/52/72/1063805272.db2.gz CTJMIRZZHTYNLV-OAQYLSRUSA-N 1 2 458.570 2.821 20 30 JFEDLO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295834085 1063850019 /nfs/dbraw/zinc/85/00/19/1063850019.db2.gz PLJVINVFJGFAKM-GOSISDBHSA-N 1 2 484.548 2.714 20 30 JFEDLO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295834085 1063850032 /nfs/dbraw/zinc/85/00/32/1063850032.db2.gz PLJVINVFJGFAKM-GOSISDBHSA-N 1 2 484.548 2.714 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001296134914 1064237553 /nfs/dbraw/zinc/23/75/53/1064237553.db2.gz SFSBOTZQTOLTGV-JSRJAPPDSA-N 1 2 469.609 2.939 20 30 JFEDLO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001292185581 1064977073 /nfs/dbraw/zinc/97/70/73/1064977073.db2.gz QWRKSAPRJWKUDW-XZOQPEGZSA-N 1 2 451.619 2.846 20 30 JFEDLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC2)C1=O ZINC001164644307 719285274 /nfs/dbraw/zinc/28/52/74/719285274.db2.gz HPOZGLBSJDRGGJ-UHFFFAOYSA-N 1 2 470.961 2.553 20 30 JFEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC2)C1=O ZINC001164644307 719285277 /nfs/dbraw/zinc/28/52/77/719285277.db2.gz HPOZGLBSJDRGGJ-UHFFFAOYSA-N 1 2 470.961 2.553 20 30 JFEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164708074 719869983 /nfs/dbraw/zinc/86/99/83/719869983.db2.gz XNCGPXPNUMPSDK-ATIYNZHBSA-N 1 2 464.566 2.959 20 30 JFEDLO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164710644 720049085 /nfs/dbraw/zinc/04/90/85/720049085.db2.gz FYBBAMQFYZZPHW-UHFFFAOYSA-N 1 2 481.963 2.891 20 30 JFEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)CC3)C2=O)cs1 ZINC001164820301 720377166 /nfs/dbraw/zinc/37/71/66/720377166.db2.gz NKJRYHWSWZILBO-UHFFFAOYSA-N 1 2 480.638 2.732 20 30 JFEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)CC3)C2=O)cs1 ZINC001164820301 720377174 /nfs/dbraw/zinc/37/71/74/720377174.db2.gz NKJRYHWSWZILBO-UHFFFAOYSA-N 1 2 480.638 2.732 20 30 JFEDLO Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164829928 720465074 /nfs/dbraw/zinc/46/50/74/720465074.db2.gz IABPRXNGLCEXLK-QFIPXVFZSA-N 1 2 467.690 2.805 20 30 JFEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164831793 720469298 /nfs/dbraw/zinc/46/92/98/720469298.db2.gz QKEOKSMNGCKZAF-KRWDZBQOSA-N 1 2 466.973 2.946 20 30 JFEDLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001165015579 721765588 /nfs/dbraw/zinc/76/55/88/721765588.db2.gz RWHBSKAQLKFCKV-UHFFFAOYSA-N 1 2 495.321 2.728 20 30 JFEDLO Cc1ccc([C@H](C#N)c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912992 721771136 /nfs/dbraw/zinc/77/11/36/721771136.db2.gz SSZGVUMXMCXIHZ-IGKIAQTJSA-N 1 2 470.577 2.943 20 30 JFEDLO Cc1ccc([C@H](C#N)c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912992 721771142 /nfs/dbraw/zinc/77/11/42/721771142.db2.gz SSZGVUMXMCXIHZ-IGKIAQTJSA-N 1 2 470.577 2.943 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286281967 1060041902 /nfs/dbraw/zinc/04/19/02/1060041902.db2.gz KAITZMNPBMVUBX-IEBWSBKVSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286281967 1060041924 /nfs/dbraw/zinc/04/19/24/1060041924.db2.gz KAITZMNPBMVUBX-IEBWSBKVSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001286300250 1060052234 /nfs/dbraw/zinc/05/22/34/1060052234.db2.gz QBTDSJBTTYKNRY-AVRDEDQJSA-N 1 2 450.612 2.993 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001286300250 1060052254 /nfs/dbraw/zinc/05/22/54/1060052254.db2.gz QBTDSJBTTYKNRY-AVRDEDQJSA-N 1 2 450.612 2.993 20 30 JFEDLO C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286317698 1060078618 /nfs/dbraw/zinc/07/86/18/1060078618.db2.gz IADCDBPZTOVBPC-OAQYLSRUSA-N 1 2 459.598 2.753 20 30 JFEDLO C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001286339893 1060095828 /nfs/dbraw/zinc/09/58/28/1060095828.db2.gz RWMBMPYMIXUMCG-HXUWFJFHSA-N 1 2 459.598 2.799 20 30 JFEDLO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286376007 1060138157 /nfs/dbraw/zinc/13/81/57/1060138157.db2.gz CEMCHMOLYJGBHF-HXUWFJFHSA-N 1 2 481.601 2.699 20 30 JFEDLO C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1([NH+]2CCOCC2)CC(OCC)C1 ZINC001286380101 1060146592 /nfs/dbraw/zinc/14/65/92/1060146592.db2.gz BSSOLILCICMASB-UHFFFAOYSA-N 1 2 474.005 2.850 20 30 JFEDLO C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001286382068 1060153092 /nfs/dbraw/zinc/15/30/92/1060153092.db2.gz QEENTMXGSIWQBU-SESVDKBCSA-N 1 2 495.628 2.787 20 30 JFEDLO C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286438130 1060329348 /nfs/dbraw/zinc/32/93/48/1060329348.db2.gz BLTLDOJSRUSBOT-XMMPIXPASA-N 1 2 457.582 2.523 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001286469912 1060360400 /nfs/dbraw/zinc/36/04/00/1060360400.db2.gz OCNFFXKSYWGARH-HXUWFJFHSA-N 1 2 452.990 2.973 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001286469937 1060360441 /nfs/dbraw/zinc/36/04/41/1060360441.db2.gz PAEWIJFYEGIRRB-IRLDBZIGSA-N 1 2 485.032 2.678 20 30 JFEDLO C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001286470071 1060360918 /nfs/dbraw/zinc/36/09/18/1060360918.db2.gz PHJHUPLTXJCJRI-DHIUTWEWSA-N 1 2 453.587 2.598 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001286470146 1060361647 /nfs/dbraw/zinc/36/16/47/1060361647.db2.gz TZZOIVWBYRLKKK-NRFANRHFSA-N 1 2 471.005 2.576 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[C@H]2CCCCO2)CC1 ZINC001286470148 1060361779 /nfs/dbraw/zinc/36/17/79/1060361779.db2.gz TZZOIVWBYRLKKK-OAQYLSRUSA-N 1 2 471.005 2.576 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC(C)C)CC1 ZINC001286472657 1060370287 /nfs/dbraw/zinc/37/02/87/1060370287.db2.gz UZLMSNROWXNWBK-OAQYLSRUSA-N 1 2 452.603 2.705 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCCOC(F)(F)F)CC1 ZINC001286473224 1060373130 /nfs/dbraw/zinc/37/31/30/1060373130.db2.gz IZAKGPHTDSGSMV-UHFFFAOYSA-N 1 2 483.491 2.653 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC001286473228 1060373849 /nfs/dbraw/zinc/37/38/49/1060373849.db2.gz IZOUSKCFNGEAIX-WOJBJXKFSA-N 1 2 453.587 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(OC)c(F)c2)CC1 ZINC001286473565 1060375731 /nfs/dbraw/zinc/37/57/31/1060375731.db2.gz SZTHIVTXNQBPJC-UHFFFAOYSA-N 1 2 487.377 2.997 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2=CCCCC2)CC1 ZINC001286473665 1060376463 /nfs/dbraw/zinc/37/64/63/1060376463.db2.gz QDKVTXGNWIBKNK-UHFFFAOYSA-N 1 2 453.612 2.994 20 30 JFEDLO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNc2cccc[nH+]2)CC1 ZINC001286473705 1060377336 /nfs/dbraw/zinc/37/73/36/1060377336.db2.gz RMIVWDUGGUORJN-UHFFFAOYSA-N 1 2 469.391 2.688 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccccc2OCC=C)CC1 ZINC001286473828 1060378484 /nfs/dbraw/zinc/37/84/84/1060378484.db2.gz YMKIBGBTTWXOQG-AREMUKBSSA-N 1 2 465.598 2.687 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOCC2CCOCC2)CC1 ZINC001286473941 1060379416 /nfs/dbraw/zinc/37/94/16/1060379416.db2.gz WMVXIUWVQNHAKI-UHFFFAOYSA-N 1 2 491.434 2.624 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCCCO)CC1 ZINC001286474040 1060380286 /nfs/dbraw/zinc/38/02/86/1060380286.db2.gz XUCJBYUOQWAHFT-UHFFFAOYSA-N 1 2 450.356 2.765 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)N2CCCCC2)CC1 ZINC001286474131 1060380941 /nfs/dbraw/zinc/38/09/41/1060380941.db2.gz BPZUAPTZGGTCAP-UHFFFAOYSA-N 1 2 471.005 2.765 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001286474689 1060385631 /nfs/dbraw/zinc/38/56/31/1060385631.db2.gz OSBSMCJSIVWZKJ-UHFFFAOYSA-N 1 2 457.007 2.946 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC=CCO2)CC1 ZINC001286474734 1060386337 /nfs/dbraw/zinc/38/63/37/1060386337.db2.gz POAQUJUGDGWEKK-KRWDZBQOSA-N 1 2 460.351 2.947 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001286474968 1060388739 /nfs/dbraw/zinc/38/87/39/1060388739.db2.gz UCJKRIVEOOXLBJ-QHCPKHFHSA-N 1 2 454.962 2.866 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001286475340 1060389407 /nfs/dbraw/zinc/38/94/07/1060389407.db2.gz XEQNSWFFGRRBGC-VFNWGFHPSA-N 1 2 494.821 2.656 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCCCCC2=O)CC1 ZINC001286475734 1060390727 /nfs/dbraw/zinc/39/07/27/1060390727.db2.gz HPCRQIKKEAIBDS-UHFFFAOYSA-N 1 2 450.587 2.502 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CCC2(O)CCC2)CC1 ZINC001286475877 1060391410 /nfs/dbraw/zinc/39/14/10/1060391410.db2.gz JGQDUKTVMUWFCV-UHFFFAOYSA-N 1 2 453.587 2.803 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC001286476152 1060391604 /nfs/dbraw/zinc/39/16/04/1060391604.db2.gz PTRZKXMTZAJZPR-UHFFFAOYSA-N 1 2 462.554 2.560 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(OC)nc2OC)CC1 ZINC001286476066 1060391871 /nfs/dbraw/zinc/39/18/71/1060391871.db2.gz MWXLDRPJEAXGNV-UHFFFAOYSA-N 1 2 497.397 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001286478378 1060393553 /nfs/dbraw/zinc/39/35/53/1060393553.db2.gz AEELTJGFFOUWLU-QFIPXVFZSA-N 1 2 496.612 2.803 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCC(F)(F)F)CC1 ZINC001286478789 1060394969 /nfs/dbraw/zinc/39/49/69/1060394969.db2.gz CLEZVXIAPQIHRI-GOSISDBHSA-N 1 2 467.517 2.841 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)[C@@H](C)CCC)CC1 ZINC001286478956 1060395645 /nfs/dbraw/zinc/39/56/45/1060395645.db2.gz MKIDJVSNNNFKAS-IBGZPJMESA-N 1 2 457.022 2.830 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001286480667 1060399106 /nfs/dbraw/zinc/39/91/06/1060399106.db2.gz OVYXYBSMBNUJBU-RBUKOAKNSA-N 1 2 494.587 2.572 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001286480708 1060399359 /nfs/dbraw/zinc/39/93/59/1060399359.db2.gz ZIPHJCVSSWYKAV-UHFFFAOYSA-N 1 2 461.536 2.678 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCCC2)CC1 ZINC001286481354 1060401097 /nfs/dbraw/zinc/40/10/97/1060401097.db2.gz UKZCOPZDTKFULM-HXUWFJFHSA-N 1 2 458.607 2.532 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001286481820 1060403292 /nfs/dbraw/zinc/40/32/92/1060403292.db2.gz YBGFBAXMSNYPBT-FNZWTVRRSA-N 1 2 498.628 2.649 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)CC1 ZINC001286482093 1060404675 /nfs/dbraw/zinc/40/46/75/1060404675.db2.gz ZTKFVGNNHVHDLI-OAQYLSRUSA-N 1 2 486.661 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2(C)CCOCC2)CC1 ZINC001286482090 1060404707 /nfs/dbraw/zinc/40/47/07/1060404707.db2.gz ZTKFVGNNHVHDLI-NRFANRHFSA-N 1 2 486.661 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC001286483249 1060407766 /nfs/dbraw/zinc/40/77/66/1060407766.db2.gz DIZZRARMWJJMNY-OAQYLSRUSA-N 1 2 478.494 2.777 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(Br)cn2)CC1 ZINC001286483170 1060407910 /nfs/dbraw/zinc/40/79/10/1060407910.db2.gz AAKXZBBYDPFDEW-UHFFFAOYSA-N 1 2 474.432 2.735 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001286483561 1060409129 /nfs/dbraw/zinc/40/91/29/1060409129.db2.gz POQBIBAZKOZSAT-FQEVSTJZSA-N 1 2 465.520 2.795 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001286483598 1060409216 /nfs/dbraw/zinc/40/92/16/1060409216.db2.gz QOVQTRRNVXARGU-UHFFFAOYSA-N 1 2 463.586 2.561 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)ccc2OC(F)F)CC1 ZINC001286484427 1060417263 /nfs/dbraw/zinc/41/72/63/1060417263.db2.gz KJRKPWQMKACBCY-UHFFFAOYSA-N 1 2 485.539 2.553 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(F)cc(F)c(F)c2F)CC1 ZINC001286485135 1060423151 /nfs/dbraw/zinc/42/31/51/1060423151.db2.gz VUWJOPAATCJBPU-UHFFFAOYSA-N 1 2 492.502 2.630 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNC(=O)C2CCC2)CC1 ZINC001286485305 1060424323 /nfs/dbraw/zinc/42/43/23/1060424323.db2.gz YJNKGGNMODICJA-UHFFFAOYSA-N 1 2 464.614 2.536 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CCc2nccnc2C)CC1 ZINC001286485457 1060425390 /nfs/dbraw/zinc/42/53/90/1060425390.db2.gz MJOIETDVTBMWSN-UHFFFAOYSA-N 1 2 463.611 2.675 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](OC)C2CC2)CC1 ZINC001286485613 1060427445 /nfs/dbraw/zinc/42/74/45/1060427445.db2.gz RKOIZMZEORGQDB-VQTJNVASSA-N 1 2 458.607 2.530 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2Cc2c(C)noc2C)CC1 ZINC001286485748 1060429346 /nfs/dbraw/zinc/42/93/46/1060429346.db2.gz XENDIDABYCXUEY-FQEVSTJZSA-N 1 2 469.590 2.758 20 30 JFEDLO C=C(Br)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286531770 1060567558 /nfs/dbraw/zinc/56/75/58/1060567558.db2.gz PLFSKHBTXKNISI-UHFFFAOYSA-N 1 2 496.406 2.648 20 30 JFEDLO C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001286537148 1060577947 /nfs/dbraw/zinc/57/79/47/1060577947.db2.gz XLVUYYQREQJVII-SFHVURJKSA-N 1 2 490.450 2.715 20 30 JFEDLO C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286538628 1060581072 /nfs/dbraw/zinc/58/10/72/1060581072.db2.gz RCYMJKKTPALMPC-INIZCTEOSA-N 1 2 451.369 2.699 20 30 JFEDLO C=C(Br)Cn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286539273 1060582781 /nfs/dbraw/zinc/58/27/81/1060582781.db2.gz XXFPCUQOLMHZQE-LJQANCHMSA-N 1 2 467.456 2.685 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C ZINC001286562282 1060640925 /nfs/dbraw/zinc/64/09/25/1060640925.db2.gz JUTDRJFGFLKDRN-HBMCJLEFSA-N 1 2 458.651 2.690 20 30 JFEDLO C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286572906 1060663336 /nfs/dbraw/zinc/66/33/36/1060663336.db2.gz CSICTLAXPSRPSP-IBGZPJMESA-N 1 2 465.602 2.798 20 30 JFEDLO C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286597533 1060699053 /nfs/dbraw/zinc/69/90/53/1060699053.db2.gz QMKBNRLPUUOUBR-LJQANCHMSA-N 1 2 456.566 2.705 20 30 JFEDLO C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286708560 1060824017 /nfs/dbraw/zinc/82/40/17/1060824017.db2.gz QKSMMGAJSKAZMS-UHFFFAOYSA-N 1 2 496.637 2.965 20 30 JFEDLO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001286711720 1060832758 /nfs/dbraw/zinc/83/27/58/1060832758.db2.gz RWBTVEFAQHRHON-JOCHJYFZSA-N 1 2 453.635 2.846 20 30 JFEDLO C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286726733 1060848341 /nfs/dbraw/zinc/84/83/41/1060848341.db2.gz IDAGERCDQUGLDD-SFHVURJKSA-N 1 2 457.579 2.718 20 30 JFEDLO C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001286736456 1060854184 /nfs/dbraw/zinc/85/41/84/1060854184.db2.gz FTTQUUVCYREARK-NQIIRXRSSA-N 1 2 459.616 2.647 20 30 JFEDLO C=CCN(Cc1ccccc1F)c1nnc(Cc2cccnc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286744770 1060868692 /nfs/dbraw/zinc/86/86/92/1060868692.db2.gz MCLAVRNIUXSRIM-UHFFFAOYSA-N 1 2 477.588 2.760 20 30 JFEDLO C=CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001286773425 1060909372 /nfs/dbraw/zinc/90/93/72/1060909372.db2.gz NMAOPQMRJVILQG-HXUWFJFHSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286793322 1060964697 /nfs/dbraw/zinc/96/46/97/1060964697.db2.gz VWGHILWZVPFDJV-UHFFFAOYSA-N 1 2 478.626 2.606 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001286818961 1061039894 /nfs/dbraw/zinc/03/98/94/1061039894.db2.gz VBFBALGBJZEYST-LJQANCHMSA-N 1 2 454.600 2.585 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001286818961 1061039907 /nfs/dbraw/zinc/03/99/07/1061039907.db2.gz VBFBALGBJZEYST-LJQANCHMSA-N 1 2 454.600 2.585 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286822109 1061056012 /nfs/dbraw/zinc/05/60/12/1061056012.db2.gz YZPQBYZIYRZGTA-UHFFFAOYSA-N 1 2 452.024 2.654 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286824184 1061066191 /nfs/dbraw/zinc/06/61/91/1061066191.db2.gz WRGNVPMOMMSORB-HXUWFJFHSA-N 1 2 461.632 2.605 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001286824184 1061066200 /nfs/dbraw/zinc/06/62/00/1061066200.db2.gz WRGNVPMOMMSORB-HXUWFJFHSA-N 1 2 461.632 2.605 20 30 JFEDLO Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001289734690 1061345152 /nfs/dbraw/zinc/34/51/52/1061345152.db2.gz BMOLWRPPVRAGRX-DEOSSOPVSA-N 1 2 469.565 2.700 20 30 JFEDLO Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001289734690 1061345168 /nfs/dbraw/zinc/34/51/68/1061345168.db2.gz BMOLWRPPVRAGRX-DEOSSOPVSA-N 1 2 469.565 2.700 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001286890281 1061353557 /nfs/dbraw/zinc/35/35/57/1061353557.db2.gz PSVGKYRFDNUTDG-AREMUKBSSA-N 1 2 479.629 2.768 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001286890450 1061354813 /nfs/dbraw/zinc/35/48/13/1061354813.db2.gz RHVXLXRKFKLDIE-UHFFFAOYSA-N 1 2 479.629 2.768 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001286968727 1061744175 /nfs/dbraw/zinc/74/41/75/1061744175.db2.gz BIQNZULEKBROAI-DLBZAZTESA-N 1 2 477.407 2.936 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286968730 1061744788 /nfs/dbraw/zinc/74/47/88/1061744788.db2.gz BIQNZULEKBROAI-IRXDYDNUSA-N 1 2 477.407 2.936 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001286969762 1061746502 /nfs/dbraw/zinc/74/65/02/1061746502.db2.gz ISENDBPUKYZHTA-YADARESESA-N 1 2 481.626 2.533 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001286970167 1061746541 /nfs/dbraw/zinc/74/65/41/1061746541.db2.gz AKTAONIZYUBCJH-GBESFXJTSA-N 1 2 473.622 2.509 20 30 JFEDLO CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286985236 1061853050 /nfs/dbraw/zinc/85/30/50/1061853050.db2.gz WHNDCEKUTZMBEV-UHFFFAOYSA-N 1 2 458.570 2.701 20 30 JFEDLO CC(C)(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287027582 1061973911 /nfs/dbraw/zinc/97/39/11/1061973911.db2.gz YJHQQVWFWWPCQS-UHFFFAOYSA-N 1 2 453.591 2.512 20 30 JFEDLO CC(C)(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287027582 1061973920 /nfs/dbraw/zinc/97/39/20/1061973920.db2.gz YJHQQVWFWWPCQS-UHFFFAOYSA-N 1 2 453.591 2.512 20 30 JFEDLO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001287044113 1062018464 /nfs/dbraw/zinc/01/84/64/1062018464.db2.gz PXJIZMLUUGUUFN-UHFFFAOYSA-N 1 2 488.658 2.863 20 30 JFEDLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCC(=O)N(C)C)CC2)s1 ZINC001290497053 1062288308 /nfs/dbraw/zinc/28/83/08/1062288308.db2.gz UIKFNMLPWQQZFE-UHFFFAOYSA-N 1 2 478.626 2.772 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001295335532 1063253613 /nfs/dbraw/zinc/25/36/13/1063253613.db2.gz AVNSNKFSHJVKLB-IRLDBZIGSA-N 1 2 467.593 2.945 20 30 JFEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(C)C)CC1 ZINC001295335740 1063254270 /nfs/dbraw/zinc/25/42/70/1063254270.db2.gz GKMFMHMMUHKUIS-UHFFFAOYSA-N 1 2 469.659 2.949 20 30 JFEDLO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291403717 1063970034 /nfs/dbraw/zinc/97/00/34/1063970034.db2.gz OJLGLCZIDJLAKV-AFMDSPMNSA-N 1 2 490.612 2.951 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291598282 1064133454 /nfs/dbraw/zinc/13/34/54/1064133454.db2.gz AEAJBLIMOBUHMN-OALUTQOASA-N 1 2 455.582 2.850 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291598282 1064133456 /nfs/dbraw/zinc/13/34/56/1064133456.db2.gz AEAJBLIMOBUHMN-OALUTQOASA-N 1 2 455.582 2.850 20 30 JFEDLO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001292185574 1064977030 /nfs/dbraw/zinc/97/70/30/1064977030.db2.gz QWRKSAPRJWKUDW-DHIUTWEWSA-N 1 2 451.619 2.846 20 30 JFEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(SC)c1C#N ZINC001164706351 719860011 /nfs/dbraw/zinc/86/00/11/719860011.db2.gz WNKWFXQLHOQGRK-MHECFPHRSA-N 1 2 467.595 2.970 20 30 JFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917109 721788852 /nfs/dbraw/zinc/78/88/52/721788852.db2.gz WVBWQZLGYQTRGE-SANMLTNESA-N 1 2 494.668 2.600 20 30 JFEDLO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917109 721788858 /nfs/dbraw/zinc/78/88/58/721788858.db2.gz WVBWQZLGYQTRGE-SANMLTNESA-N 1 2 494.668 2.600 20 30 JFEDLO N#Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164913687 721800339 /nfs/dbraw/zinc/80/03/39/721800339.db2.gz FXUYVQJXEIAIFM-XMMPIXPASA-N 1 2 460.494 2.517 20 30 JFEDLO N#Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164913687 721800342 /nfs/dbraw/zinc/80/03/42/721800342.db2.gz FXUYVQJXEIAIFM-XMMPIXPASA-N 1 2 460.494 2.517 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286277001 1060034986 /nfs/dbraw/zinc/03/49/86/1060034986.db2.gz VPLCEAIZEPQQQN-RZPFDVGOSA-N 1 2 467.614 2.770 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286279070 1060037495 /nfs/dbraw/zinc/03/74/95/1060037495.db2.gz JQLQFWUOZWQGIH-SFHVURJKSA-N 1 2 464.595 2.850 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286279423 1060037534 /nfs/dbraw/zinc/03/75/34/1060037534.db2.gz MFFLSEJHCDOVBR-IPMKNSEASA-N 1 2 473.643 2.694 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286279924 1060038324 /nfs/dbraw/zinc/03/83/24/1060038324.db2.gz RHHWINHEQHOGAO-PKOBYXMFSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286279924 1060038347 /nfs/dbraw/zinc/03/83/47/1060038347.db2.gz RHHWINHEQHOGAO-PKOBYXMFSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286281966 1060041829 /nfs/dbraw/zinc/04/18/29/1060041829.db2.gz KAITZMNPBMVUBX-HKUYNNGSSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286281966 1060041854 /nfs/dbraw/zinc/04/18/54/1060041854.db2.gz KAITZMNPBMVUBX-HKUYNNGSSA-N 1 2 476.585 2.921 20 30 JFEDLO C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001286368354 1060132137 /nfs/dbraw/zinc/13/21/37/1060132137.db2.gz XWULTGKNGQIKHR-UHFFFAOYSA-N 1 2 460.376 2.650 20 30 JFEDLO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286377091 1060140145 /nfs/dbraw/zinc/14/01/45/1060140145.db2.gz RTMIQZKUYBBYHU-NRFANRHFSA-N 1 2 477.569 2.890 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382441 1060155164 /nfs/dbraw/zinc/15/51/64/1060155164.db2.gz ATSOZULDWUJKCE-UGKGYDQZSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382441 1060155173 /nfs/dbraw/zinc/15/51/73/1060155173.db2.gz ATSOZULDWUJKCE-UGKGYDQZSA-N 1 2 469.655 2.649 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC001286397168 1060267403 /nfs/dbraw/zinc/26/74/03/1060267403.db2.gz XYZSJDWIWQIQTB-IBGZPJMESA-N 1 2 484.601 2.867 20 30 JFEDLO C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286398000 1060271303 /nfs/dbraw/zinc/27/13/03/1060271303.db2.gz FTGIEEOGMVMXKW-JOCHJYFZSA-N 1 2 497.607 2.721 20 30 JFEDLO C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286398000 1060271317 /nfs/dbraw/zinc/27/13/17/1060271317.db2.gz FTGIEEOGMVMXKW-JOCHJYFZSA-N 1 2 497.607 2.721 20 30 JFEDLO C#CCN(CC#C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001286404607 1060287178 /nfs/dbraw/zinc/28/71/78/1060287178.db2.gz UNOQXVONJCWQAA-UHFFFAOYSA-N 1 2 484.398 2.654 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001286460397 1060344718 /nfs/dbraw/zinc/34/47/18/1060344718.db2.gz MXVLMCRTJROISR-IBGZPJMESA-N 1 2 491.552 2.608 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001286461727 1060347355 /nfs/dbraw/zinc/34/73/55/1060347355.db2.gz VZPXPPGCJFFPBW-OAQYLSRUSA-N 1 2 465.577 2.639 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286463207 1060350717 /nfs/dbraw/zinc/35/07/17/1060350717.db2.gz KJFFAVJREQPGRN-UHFFFAOYSA-N 1 2 460.582 2.873 20 30 JFEDLO C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001286470074 1060360871 /nfs/dbraw/zinc/36/08/71/1060360871.db2.gz PHJHUPLTXJCJRI-XZOQPEGZSA-N 1 2 453.587 2.598 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 ZINC001286470192 1060361748 /nfs/dbraw/zinc/36/17/48/1060361748.db2.gz USUVTXLUZHUZLV-MOPGFXCFSA-N 1 2 464.614 2.884 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(Br)cs2)CC1 ZINC001286472046 1060368268 /nfs/dbraw/zinc/36/82/68/1060368268.db2.gz CXQOEAJYXHAENA-OAQYLSRUSA-N 1 2 494.459 2.946 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](CC)Oc2ccccc2F)CC1 ZINC001286472418 1060368922 /nfs/dbraw/zinc/36/89/22/1060368922.db2.gz HPDUKAFBYDZFMF-CJFMBICVSA-N 1 2 471.577 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cccnc2OCC)CC1 ZINC001286472675 1060370120 /nfs/dbraw/zinc/37/01/20/1060370120.db2.gz AWCDQXCZGDHNNP-UHFFFAOYSA-N 1 2 462.554 2.560 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)Oc2ccccc2OC)CC1 ZINC001286472846 1060371946 /nfs/dbraw/zinc/37/19/46/1060371946.db2.gz LXUFXYWGYKFCHT-RLWLMLJZSA-N 1 2 483.613 2.550 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001286473026 1060372356 /nfs/dbraw/zinc/37/23/56/1060372356.db2.gz GVLQJZKSLSFUBR-UHFFFAOYSA-N 1 2 485.539 2.655 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCc2nc(C)cs2)CC1 ZINC001286472970 1060372536 /nfs/dbraw/zinc/37/25/36/1060372536.db2.gz MRGKDSXPYNJBGT-XMMPIXPASA-N 1 2 472.659 2.862 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(OC)cc2F)CC1 ZINC001286473801 1060377291 /nfs/dbraw/zinc/37/72/91/1060377291.db2.gz XPCPJJVCGJXDFO-UHFFFAOYSA-N 1 2 473.350 2.987 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC2(O)CCC2)CC1 ZINC001286473894 1060378321 /nfs/dbraw/zinc/37/83/21/1060378321.db2.gz UQTBHLYCYNVGBC-UHFFFAOYSA-N 1 2 474.403 2.777 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2c(C)noc2C)CC1 ZINC001286474101 1060380179 /nfs/dbraw/zinc/38/01/79/1060380179.db2.gz AHMUMSWJHZNHQB-UHFFFAOYSA-N 1 2 450.543 2.565 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001286474237 1060382063 /nfs/dbraw/zinc/38/20/63/1060382063.db2.gz AVRGGOGIUOBNQK-FQEVSTJZSA-N 1 2 478.975 2.710 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)C2CC2)CC1 ZINC001286474546 1060384858 /nfs/dbraw/zinc/38/48/58/1060384858.db2.gz MHCDDYYWQFLOPG-OAQYLSRUSA-N 1 2 462.367 2.763 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCc2nc(C)no2)CC1 ZINC001286474520 1060384903 /nfs/dbraw/zinc/38/49/03/1060384903.db2.gz LTSVJMCZKRTFLH-UHFFFAOYSA-N 1 2 488.365 2.926 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001286474699 1060386258 /nfs/dbraw/zinc/38/62/58/1060386258.db2.gz JWUVVIYCHNWLBJ-KRWDZBQOSA-N 1 2 494.459 2.968 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(OC)ccc2OC)CC1 ZINC001286474888 1060387997 /nfs/dbraw/zinc/38/79/97/1060387997.db2.gz SYQYOGDVZKXNPZ-UHFFFAOYSA-N 1 2 452.946 2.814 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCCCC2=O)CC1 ZINC001286475017 1060388952 /nfs/dbraw/zinc/38/89/52/1060388952.db2.gz VCIHKQQJPATMAS-UHFFFAOYSA-N 1 2 458.969 2.895 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001286475234 1060389502 /nfs/dbraw/zinc/38/95/02/1060389502.db2.gz UDHNGTVNKNSRNB-UHFFFAOYSA-N 1 2 489.418 2.988 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001286475497 1060390182 /nfs/dbraw/zinc/39/01/82/1060390182.db2.gz ARSCRNRIWNWZBY-FQEVSTJZSA-N 1 2 478.975 2.710 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(COC)CCOCC2)CC1 ZINC001286475358 1060390396 /nfs/dbraw/zinc/39/03/96/1060390396.db2.gz XQZCYEPQAZMOBN-UHFFFAOYSA-N 1 2 494.459 2.968 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2CC[C@@H]2CCOC2)CC1 ZINC001286475684 1060390771 /nfs/dbraw/zinc/39/07/71/1060390771.db2.gz GIOWNCSHQKREPZ-HXUWFJFHSA-N 1 2 453.587 2.924 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@]2(C)COCCO2)CC1 ZINC001286475622 1060390855 /nfs/dbraw/zinc/39/08/55/1060390855.db2.gz CYPGMPNRZXKYLD-AREMUKBSSA-N 1 2 483.613 2.693 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)[C@H](C)CCC)CC1 ZINC001286475759 1060390893 /nfs/dbraw/zinc/39/08/93/1060390893.db2.gz HSDOHPSEUXXIMC-HXUWFJFHSA-N 1 2 459.598 2.801 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCCC)c(OC)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001286475891 1060391543 /nfs/dbraw/zinc/39/15/43/1060391543.db2.gz JXISVDQBIKQVPZ-VWLOTQADSA-N 1 2 485.654 2.756 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001286477225 1060392836 /nfs/dbraw/zinc/39/28/36/1060392836.db2.gz SIEVLEKCGBSSCM-IBGZPJMESA-N 1 2 455.607 2.588 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001286476946 1060392993 /nfs/dbraw/zinc/39/29/93/1060392993.db2.gz KRBKNDCYHWTYLY-UHFFFAOYSA-N 1 2 473.503 2.618 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCCCOC)c2)CC1 ZINC001286478787 1060394832 /nfs/dbraw/zinc/39/48/32/1060394832.db2.gz CKSCMZHGIWQRSJ-HSZRJFAPSA-N 1 2 453.587 2.739 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCCCOC)c2)CC1 ZINC001286478788 1060395173 /nfs/dbraw/zinc/39/51/73/1060395173.db2.gz CKSCMZHGIWQRSJ-QHCPKHFHSA-N 1 2 453.587 2.739 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOCCCC)CC1 ZINC001286479675 1060396865 /nfs/dbraw/zinc/39/68/65/1060396865.db2.gz ITHZZAOZRVMGCS-NRFANRHFSA-N 1 2 474.650 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001286480368 1060398590 /nfs/dbraw/zinc/39/85/90/1060398590.db2.gz MLJPMPPGQGVDIU-RBBKRZOGSA-N 1 2 486.661 2.699 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CCc2sc(C)nc2C)CC1 ZINC001286481273 1060401059 /nfs/dbraw/zinc/40/10/59/1060401059.db2.gz BGFNNUOEUROBDL-UHFFFAOYSA-N 1 2 450.612 2.949 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)CC1 ZINC001286481394 1060402253 /nfs/dbraw/zinc/40/22/53/1060402253.db2.gz VDNHCLAVGYTJHI-FQEVSTJZSA-N 1 2 474.650 2.699 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC(F)(F)F)CC1 ZINC001286481778 1060403222 /nfs/dbraw/zinc/40/32/22/1060403222.db2.gz XKZRRUUJCHLGEE-UHFFFAOYSA-N 1 2 456.513 2.710 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001286483714 1060410236 /nfs/dbraw/zinc/41/02/36/1060410236.db2.gz VVXBBVOHMBCCQJ-UHFFFAOYSA-N 1 2 466.586 2.563 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CCc2csc(C)n2)CC1 ZINC001286484334 1060416098 /nfs/dbraw/zinc/41/60/98/1060416098.db2.gz MDCWTYYPCALVGF-UHFFFAOYSA-N 1 2 452.584 2.629 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(Cl)ccc2OC)CC1 ZINC001286484964 1060421349 /nfs/dbraw/zinc/42/13/49/1060421349.db2.gz SDXNXZSQXWPTET-UHFFFAOYSA-N 1 2 485.013 2.735 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001286485323 1060424192 /nfs/dbraw/zinc/42/41/92/1060424192.db2.gz YUUNRMCSHTXBPN-UHFFFAOYSA-N 1 2 472.977 2.866 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286485954 1060430532 /nfs/dbraw/zinc/43/05/32/1060430532.db2.gz DIQGQFYWZBUIDG-FQEVSTJZSA-N 1 2 458.557 2.948 20 30 JFEDLO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001286495327 1060511503 /nfs/dbraw/zinc/51/15/03/1060511503.db2.gz YQYRESAEIHWVJD-UHFFFAOYSA-N 1 2 463.561 2.816 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286551734 1060612364 /nfs/dbraw/zinc/61/23/64/1060612364.db2.gz IWZVFJRWBFBEDG-CVDCTZTESA-N 1 2 471.602 2.712 20 30 JFEDLO C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286582697 1060672076 /nfs/dbraw/zinc/67/20/76/1060672076.db2.gz CBWNBRXALOJIOE-UHFFFAOYSA-N 1 2 450.591 2.822 20 30 JFEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC001286589868 1060686226 /nfs/dbraw/zinc/68/62/26/1060686226.db2.gz JFQIOJZBRNFFKC-GOSISDBHSA-N 1 2 461.010 2.838 20 30 JFEDLO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286591332 1060687516 /nfs/dbraw/zinc/68/75/16/1060687516.db2.gz PYMZBJUYEJPGRB-QFIPXVFZSA-N 1 2 484.645 2.770 20 30 JFEDLO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001286604854 1060711074 /nfs/dbraw/zinc/71/10/74/1060711074.db2.gz CVVNQVPLSSNOOL-OAQYLSRUSA-N 1 2 491.640 2.979 20 30 JFEDLO C=CCCCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001286688172 1060800750 /nfs/dbraw/zinc/80/07/50/1060800750.db2.gz VUCPXDSUZRWYKB-HXUWFJFHSA-N 1 2 452.607 2.614 20 30 JFEDLO C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286706435 1060820107 /nfs/dbraw/zinc/82/01/07/1060820107.db2.gz OHSAFYFBVKRGAR-UHFFFAOYSA-N 1 2 482.633 2.655 20 30 JFEDLO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286715486 1060839552 /nfs/dbraw/zinc/83/95/52/1060839552.db2.gz JPTBWEQBRJHYFD-QHCPKHFHSA-N 1 2 491.061 2.692 20 30 JFEDLO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C)C1CC1 ZINC001286736457 1060854266 /nfs/dbraw/zinc/85/42/66/1060854266.db2.gz FTTQUUVCYREARK-RXVVDRJESA-N 1 2 459.616 2.647 20 30 JFEDLO C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001286749421 1060876763 /nfs/dbraw/zinc/87/67/63/1060876763.db2.gz ROKIZSSFJXNTCO-MRXNPFEDSA-N 1 2 459.597 2.886 20 30 JFEDLO C=CCN(Cc1cccs1)c1nnc(Cc2ccncc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286749733 1060877422 /nfs/dbraw/zinc/87/74/22/1060877422.db2.gz DHSWAMOFBLJNCA-UHFFFAOYSA-N 1 2 465.627 2.682 20 30 JFEDLO C=CCN(CCc1ccco1)c1nnc(-c2ccc(C)o2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286763840 1060890073 /nfs/dbraw/zinc/89/00/73/1060890073.db2.gz VWFYRCQCZKKHIO-UHFFFAOYSA-N 1 2 452.559 2.839 20 30 JFEDLO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286779157 1060918273 /nfs/dbraw/zinc/91/82/73/1060918273.db2.gz OYEHMJLQRITYHC-BHDDXSALSA-N 1 2 460.667 2.614 20 30 JFEDLO C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286780958 1060924538 /nfs/dbraw/zinc/92/45/38/1060924538.db2.gz SKPGVKFPZNKYMV-KRWDZBQOSA-N 1 2 479.560 2.883 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286800644 1060984391 /nfs/dbraw/zinc/98/43/91/1060984391.db2.gz OHGPAJHUQODPOA-FPOVZHCZSA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286818279 1061036397 /nfs/dbraw/zinc/03/63/97/1061036397.db2.gz VCHGTUPVXYWTQJ-JOCHJYFZSA-N 1 2 495.653 2.846 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286821663 1061053098 /nfs/dbraw/zinc/05/30/98/1061053098.db2.gz RQHJKODKSBOKCE-UHFFFAOYSA-N 1 2 464.035 2.798 20 30 JFEDLO C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286836876 1061090526 /nfs/dbraw/zinc/09/05/26/1061090526.db2.gz RCHGSWWTLOCNFA-ICSRJNTNSA-N 1 2 458.632 2.945 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)CC1 ZINC001286891449 1061360960 /nfs/dbraw/zinc/36/09/60/1061360960.db2.gz XSYFTVSWSMJWID-DEOSSOPVSA-N 1 2 463.630 2.896 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286971168 1061748309 /nfs/dbraw/zinc/74/83/09/1061748309.db2.gz UMDMXRSTSZYBSR-IBGZPJMESA-N 1 2 472.553 2.605 20 30 JFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSC(F)(F)F)CC1 ZINC001286972377 1061753548 /nfs/dbraw/zinc/75/35/48/1061753548.db2.gz GYXDYAAOSLVSEJ-HNNXBMFYSA-N 1 2 493.559 2.859 20 30 JFEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)CC1 ZINC001286973590 1061763461 /nfs/dbraw/zinc/76/34/61/1061763461.db2.gz TXNKUPLJRNLSCT-INIZCTEOSA-N 1 2 475.519 2.948 20 30 JFEDLO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1)S(C)(=O)=O ZINC001286979707 1061808644 /nfs/dbraw/zinc/80/86/44/1061808644.db2.gz LWRREDWALZANAZ-ZWKOTPCHSA-N 1 2 467.599 2.972 20 30 JFEDLO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287084622 1062253398 /nfs/dbraw/zinc/25/33/98/1062253398.db2.gz UEMHBLJZKGHAAQ-VTLMBFNKSA-N 1 2 470.643 2.665 20 30 JFEDLO CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001295413542 1063413448 /nfs/dbraw/zinc/41/34/48/1063413448.db2.gz QSSHIRWNVZCSQI-NRFANRHFSA-N 1 2 458.570 2.808 20 30 JFEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867329 1063902169 /nfs/dbraw/zinc/90/21/69/1063902169.db2.gz MJIBQHRSYBAXAK-NHCUHLMSSA-N 1 2 450.930 2.781 20 30 JFEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccc(Cl)cc2)C1 ZINC001295867329 1063902180 /nfs/dbraw/zinc/90/21/80/1063902180.db2.gz MJIBQHRSYBAXAK-NHCUHLMSSA-N 1 2 450.930 2.781 20 30 JFEDLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296135487 1064240086 /nfs/dbraw/zinc/24/00/86/1064240086.db2.gz ZGLGXLOAMNCRBN-NHCUHLMSSA-N 1 2 451.619 2.991 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291987351 1064600554 /nfs/dbraw/zinc/60/05/54/1064600554.db2.gz SESKLQNAPYUXCX-ZWKOTPCHSA-N 1 2 468.606 2.603 20 30 JFEDLO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001292182762 1064973113 /nfs/dbraw/zinc/97/31/13/1064973113.db2.gz AXDVQIZBVFZIDY-XXBNENTESA-N 1 2 479.629 2.811 20 30 JFEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164708078 719869831 /nfs/dbraw/zinc/86/98/31/719869831.db2.gz XNCGPXPNUMPSDK-NVQXNPDNSA-N 1 2 464.566 2.959 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286275744 1060033862 /nfs/dbraw/zinc/03/38/62/1060033862.db2.gz UFZLIXSJFUPJDF-GOSISDBHSA-N 1 2 493.999 2.599 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286279422 1060037380 /nfs/dbraw/zinc/03/73/80/1060037380.db2.gz MFFLSEJHCDOVBR-GBESFXJTSA-N 1 2 473.643 2.694 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286279422 1060037397 /nfs/dbraw/zinc/03/73/97/1060037397.db2.gz MFFLSEJHCDOVBR-GBESFXJTSA-N 1 2 473.643 2.694 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286280036 1060038945 /nfs/dbraw/zinc/03/89/45/1060038945.db2.gz SHIFXZXTSRPSAX-SFHVURJKSA-N 1 2 462.554 2.700 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286281969 1060041690 /nfs/dbraw/zinc/04/16/90/1060041690.db2.gz KAITZMNPBMVUBX-MJGOQNOKSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286281969 1060041708 /nfs/dbraw/zinc/04/17/08/1060041708.db2.gz KAITZMNPBMVUBX-MJGOQNOKSA-N 1 2 476.585 2.921 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001286311579 1060070219 /nfs/dbraw/zinc/07/02/19/1060070219.db2.gz NYTSKHKHMQUWQH-UHFFFAOYSA-N 1 2 480.576 2.829 20 30 JFEDLO C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286363249 1060124936 /nfs/dbraw/zinc/12/49/36/1060124936.db2.gz LTCRXWHVPHGZRH-ZEQKJWHPSA-N 1 2 467.614 2.770 20 30 JFEDLO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286377092 1060140120 /nfs/dbraw/zinc/14/01/20/1060140120.db2.gz RTMIQZKUYBBYHU-OAQYLSRUSA-N 1 2 477.569 2.890 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385880 1060181860 /nfs/dbraw/zinc/18/18/60/1060181860.db2.gz QMUHBDDATAWSGU-QTEQDKRBSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385880 1060181864 /nfs/dbraw/zinc/18/18/64/1060181864.db2.gz QMUHBDDATAWSGU-QTEQDKRBSA-N 1 2 469.655 2.865 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286393206 1060242228 /nfs/dbraw/zinc/24/22/28/1060242228.db2.gz KUUCOIQQRPSYAP-SFTDATJTSA-N 1 2 475.634 2.935 20 30 JFEDLO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1c[nH+]ccc1OC ZINC001286428891 1060319429 /nfs/dbraw/zinc/31/94/29/1060319429.db2.gz YCNOXLOBEOGNAJ-FQEVSTJZSA-N 1 2 480.569 2.501 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286459385 1060342764 /nfs/dbraw/zinc/34/27/64/1060342764.db2.gz OGMANECFMPASCG-DEOSSOPVSA-N 1 2 460.582 2.808 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001286469186 1060358142 /nfs/dbraw/zinc/35/81/42/1060358142.db2.gz BIYHWMOXTJFSFV-UHFFFAOYSA-N 1 2 461.545 2.798 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)F)c2)CC1 ZINC001286469553 1060358749 /nfs/dbraw/zinc/35/87/49/1060358749.db2.gz ITPIETVVVHCNRB-UHFFFAOYSA-N 1 2 451.481 2.667 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001286469938 1060360502 /nfs/dbraw/zinc/36/05/02/1060360502.db2.gz PAEWIJFYEGIRRB-RBBKRZOGSA-N 1 2 485.032 2.678 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001286470246 1060361691 /nfs/dbraw/zinc/36/16/91/1060361691.db2.gz VMTXAYQFBIBHIR-UHFFFAOYSA-N 1 2 497.610 2.616 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSc2ccc(C)cc2)CC1 ZINC001286470285 1060362300 /nfs/dbraw/zinc/36/23/00/1060362300.db2.gz WKSNQKHUCQXBKV-UHFFFAOYSA-N 1 2 461.595 2.781 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCc2nc(C)no2)CC1 ZINC001286470834 1060363474 /nfs/dbraw/zinc/36/34/74/1060363474.db2.gz DHLPOYVZRROUCM-QGZVFWFLSA-N 1 2 453.522 2.637 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001286471279 1060365364 /nfs/dbraw/zinc/36/53/64/1060365364.db2.gz IMFABTNBQNKYSB-HXUWFJFHSA-N 1 2 482.629 2.877 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001286471753 1060367026 /nfs/dbraw/zinc/36/70/26/1060367026.db2.gz OAXVUNGRIPFGEG-PZJWPPBQSA-N 1 2 468.577 2.571 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCS2)CC1 ZINC001286472692 1060370327 /nfs/dbraw/zinc/37/03/27/1060370327.db2.gz BRPGGEVINXJHTC-GOSISDBHSA-N 1 2 457.600 2.622 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001286472802 1060370907 /nfs/dbraw/zinc/37/09/07/1060370907.db2.gz LLBKILLAGLMCPH-VWLOTQADSA-N 1 2 471.577 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(CC)n2)CC1 ZINC001286472978 1060371448 /nfs/dbraw/zinc/37/14/48/1060371448.db2.gz FVOHSCQBJYICGE-UHFFFAOYSA-N 1 2 451.556 2.870 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001286473063 1060372495 /nfs/dbraw/zinc/37/24/95/1060372495.db2.gz ODNJTRSRJUEWDL-UHFFFAOYSA-N 1 2 492.328 2.836 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCC(F)(F)C(F)F)CC1 ZINC001286473085 1060372617 /nfs/dbraw/zinc/37/26/17/1060372617.db2.gz HXKCOXURVOEOGY-UHFFFAOYSA-N 1 2 455.456 2.626 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001286473227 1060374072 /nfs/dbraw/zinc/37/40/72/1060374072.db2.gz IZOUSKCFNGEAIX-VQTJNVASSA-N 1 2 453.587 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CSCCS2)CC1 ZINC001286473330 1060374187 /nfs/dbraw/zinc/37/41/87/1060374187.db2.gz KOBSFRJMOWJDEP-OAHLLOKOSA-N 1 2 467.462 2.640 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)[C@@H](C)CCC)CC1 ZINC001286475757 1060390998 /nfs/dbraw/zinc/39/09/98/1060390998.db2.gz HSDOHPSEUXXIMC-FQEVSTJZSA-N 1 2 459.598 2.801 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001286478374 1060393642 /nfs/dbraw/zinc/39/36/42/1060393642.db2.gz AEELTJGFFOUWLU-JOCHJYFZSA-N 1 2 496.612 2.803 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2CCSCC=C)CC1 ZINC001286478393 1060393810 /nfs/dbraw/zinc/39/38/10/1060393810.db2.gz BEQSOEDVMWKKNQ-UHFFFAOYSA-N 1 2 477.638 2.739 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[C@H](OC)C(CC)CC)CC1 ZINC001286478737 1060394789 /nfs/dbraw/zinc/39/47/89/1060394789.db2.gz FNMIQCXRBZVOBO-QHCPKHFHSA-N 1 2 491.640 2.789 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001286478967 1060395728 /nfs/dbraw/zinc/39/57/28/1060395728.db2.gz MTMHIDCLHHTNJU-UHFFFAOYSA-N 1 2 470.499 2.850 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001286479570 1060397156 /nfs/dbraw/zinc/39/71/56/1060397156.db2.gz VKHSQNJCBPRJKB-JOCHJYFZSA-N 1 2 490.574 2.586 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCOCC(F)F)CC1 ZINC001286480617 1060399194 /nfs/dbraw/zinc/39/91/94/1060399194.db2.gz NWOYIDQMKFYYQA-UHFFFAOYSA-N 1 2 496.603 2.820 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2ccc(OC)nc2)CC1 ZINC001286480886 1060400059 /nfs/dbraw/zinc/40/00/59/1060400059.db2.gz QFNOVLGHKGMEHS-OAQYLSRUSA-N 1 2 495.628 2.600 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2ccccc2C)CC1 ZINC001286481797 1060403116 /nfs/dbraw/zinc/40/31/16/1060403116.db2.gz XTJBBTFUTIJNBV-QFIPXVFZSA-N 1 2 480.613 2.698 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)cc2OCCOC)CC1 ZINC001286481438 1060403196 /nfs/dbraw/zinc/40/31/96/1060403196.db2.gz VOSDORZHPDMCIX-QFIPXVFZSA-N 1 2 453.587 2.657 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001286481923 1060404753 /nfs/dbraw/zinc/40/47/53/1060404753.db2.gz KNDIWERETKDEGJ-OAQYLSRUSA-N 1 2 482.629 2.936 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OCCC)CC1 ZINC001286482784 1060406798 /nfs/dbraw/zinc/40/67/98/1060406798.db2.gz ZBEDLBVSVSNXOE-UHFFFAOYSA-N 1 2 451.600 2.621 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@@]2(OC)CCOC2)CC1 ZINC001286483366 1060407942 /nfs/dbraw/zinc/40/79/42/1060407942.db2.gz IEQMKABKCJATRC-VWLOTQADSA-N 1 2 488.032 2.812 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001286483562 1060409146 /nfs/dbraw/zinc/40/91/46/1060409146.db2.gz POQBIBAZKOZSAT-HXUWFJFHSA-N 1 2 465.520 2.795 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](OCC)C2CCCC2)CC1 ZINC001286483958 1060412222 /nfs/dbraw/zinc/41/22/22/1060412222.db2.gz BBPYCQBAVHPZNR-QHCPKHFHSA-N 1 2 453.635 2.880 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCOc2ncccc2Cl)CC1 ZINC001286484307 1060415160 /nfs/dbraw/zinc/41/51/60/1060415160.db2.gz LLWQQRZPOCTMFQ-UHFFFAOYSA-N 1 2 470.936 2.879 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001286484195 1060415189 /nfs/dbraw/zinc/41/51/89/1060415189.db2.gz FVAHIUSRFGHPQP-HXUWFJFHSA-N 1 2 493.612 2.739 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nccc(C(F)F)n2)CC1 ZINC001286484315 1060416032 /nfs/dbraw/zinc/41/60/32/1060416032.db2.gz LUZUEEAVGFTHJI-UHFFFAOYSA-N 1 2 483.523 2.787 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CC2(OCC)CCCC2)CC1 ZINC001286484745 1060419394 /nfs/dbraw/zinc/41/93/94/1060419394.db2.gz WVLSWGKUCXHKDJ-UHFFFAOYSA-N 1 2 453.587 2.970 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001286484804 1060420528 /nfs/dbraw/zinc/42/05/28/1060420528.db2.gz OWQZHHBWEDGISS-XMMPIXPASA-N 1 2 451.596 2.890 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)c2nccs2)CC1 ZINC001286484884 1060420673 /nfs/dbraw/zinc/42/06/73/1060420673.db2.gz ZQWPBOGBVSLVMQ-SFHVURJKSA-N 1 2 452.584 2.881 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)c2nccs2)CC1 ZINC001286484883 1060420692 /nfs/dbraw/zinc/42/06/92/1060420692.db2.gz ZQWPBOGBVSLVMQ-GOSISDBHSA-N 1 2 452.584 2.881 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@](C)(O)c2ccco2)CC1 ZINC001286485095 1060422004 /nfs/dbraw/zinc/42/20/04/1060422004.db2.gz CMVDHHHCZFOFCR-DEOSSOPVSA-N 1 2 467.595 2.835 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccccc2F)CC1 ZINC001286485576 1060427588 /nfs/dbraw/zinc/42/75/88/1060427588.db2.gz QIOSQPVEHGWURA-BGYRXZFFSA-N 1 2 468.577 2.991 20 30 JFEDLO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286501065 1060526205 /nfs/dbraw/zinc/52/62/05/1060526205.db2.gz LIDUBBKTBQZAOI-UHFFFAOYSA-N 1 2 454.991 2.785 20 30 JFEDLO C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286533120 1060569717 /nfs/dbraw/zinc/56/97/17/1060569717.db2.gz SIAPLBPJINXDPD-GOSISDBHSA-N 1 2 498.429 2.858 20 30 JFEDLO C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286573499 1060664461 /nfs/dbraw/zinc/66/44/61/1060664461.db2.gz MPQNOWOBRALEDJ-UHFFFAOYSA-N 1 2 465.602 2.705 20 30 JFEDLO C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001286607294 1060716364 /nfs/dbraw/zinc/71/63/64/1060716364.db2.gz FIWGAWVLXBMNDV-NRFANRHFSA-N 1 2 491.633 2.624 20 30 JFEDLO C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286607294 1060716379 /nfs/dbraw/zinc/71/63/79/1060716379.db2.gz FIWGAWVLXBMNDV-NRFANRHFSA-N 1 2 491.633 2.624 20 30 JFEDLO C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001286607295 1060716778 /nfs/dbraw/zinc/71/67/78/1060716778.db2.gz FIWGAWVLXBMNDV-OAQYLSRUSA-N 1 2 491.633 2.624 20 30 JFEDLO C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286607295 1060716798 /nfs/dbraw/zinc/71/67/98/1060716798.db2.gz FIWGAWVLXBMNDV-OAQYLSRUSA-N 1 2 491.633 2.624 20 30 JFEDLO C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286647002 1060762956 /nfs/dbraw/zinc/76/29/56/1060762956.db2.gz YJXGNTFLDXQYQA-CTNGQTDRSA-N 1 2 459.616 2.648 20 30 JFEDLO C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286676127 1060789398 /nfs/dbraw/zinc/78/93/98/1060789398.db2.gz WLDPBLPPLCOXLB-QFIPXVFZSA-N 1 2 482.677 2.875 20 30 JFEDLO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286742559 1060865328 /nfs/dbraw/zinc/86/53/28/1060865328.db2.gz LZACRVGOGCBMBI-UHFFFAOYSA-N 1 2 465.602 2.591 20 30 JFEDLO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001286742559 1060865343 /nfs/dbraw/zinc/86/53/43/1060865343.db2.gz LZACRVGOGCBMBI-UHFFFAOYSA-N 1 2 465.602 2.591 20 30 JFEDLO C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001286758203 1060886103 /nfs/dbraw/zinc/88/61/03/1060886103.db2.gz GNDPCBOJSHBJFY-FQEVSTJZSA-N 1 2 488.633 2.630 20 30 JFEDLO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286765207 1060891857 /nfs/dbraw/zinc/89/18/57/1060891857.db2.gz AHAQETOFXSXUDF-LJQANCHMSA-N 1 2 470.599 2.518 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286773302 1060908800 /nfs/dbraw/zinc/90/88/00/1060908800.db2.gz MWRWYYFBTLYTDZ-SFTDATJTSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286773302 1060908816 /nfs/dbraw/zinc/90/88/16/1060908816.db2.gz MWRWYYFBTLYTDZ-SFTDATJTSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286778085 1060915078 /nfs/dbraw/zinc/91/50/78/1060915078.db2.gz XYHWDFOLXQTMJV-IBGZPJMESA-N 1 2 470.643 2.898 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286801315 1060986060 /nfs/dbraw/zinc/98/60/60/1060986060.db2.gz XWWGWAWYCLSOEC-XXBNENTESA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286815652 1061019090 /nfs/dbraw/zinc/01/90/90/1061019090.db2.gz CPNRKAOGXWPVLV-INIZCTEOSA-N 1 2 468.023 2.738 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001286815652 1061019105 /nfs/dbraw/zinc/01/91/05/1061019105.db2.gz CPNRKAOGXWPVLV-INIZCTEOSA-N 1 2 468.023 2.738 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286817904 1061034543 /nfs/dbraw/zinc/03/45/43/1061034543.db2.gz ZKFOTTPGSOGXDP-UHFFFAOYSA-N 1 2 471.652 2.972 20 30 JFEDLO C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286833070 1061083318 /nfs/dbraw/zinc/08/33/18/1061083318.db2.gz UQCNIOLBVYRERR-FCHUYYIVSA-N 1 2 478.707 2.670 20 30 JFEDLO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286834002 1061085693 /nfs/dbraw/zinc/08/56/93/1061085693.db2.gz WZZBZMUQNFQYOI-SFHVURJKSA-N 1 2 489.715 2.686 20 30 JFEDLO C=CCSCCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286836030 1061089341 /nfs/dbraw/zinc/08/93/41/1061089341.db2.gz FGOAMNDSRUGPJC-QHCPKHFHSA-N 1 2 458.632 2.960 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001286890356 1061353981 /nfs/dbraw/zinc/35/39/81/1061353981.db2.gz PCSQCBVZIYPLDN-UHFFFAOYSA-N 1 2 470.021 2.816 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001286890764 1061356654 /nfs/dbraw/zinc/35/66/54/1061356654.db2.gz QRGLUSLOLFMSJK-CLOONOSVSA-N 1 2 483.592 2.851 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001286891430 1061360431 /nfs/dbraw/zinc/36/04/31/1061360431.db2.gz XJZAIDFIUWHBIL-SFHVURJKSA-N 1 2 486.020 2.976 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286960918 1061734134 /nfs/dbraw/zinc/73/41/34/1061734134.db2.gz JYDQWQVYEZPBAT-MRXNPFEDSA-N 1 2 499.417 2.922 20 30 JFEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(F)(F)F)CC1 ZINC001286973591 1061763525 /nfs/dbraw/zinc/76/35/25/1061763525.db2.gz TXNKUPLJRNLSCT-MRXNPFEDSA-N 1 2 475.519 2.948 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC001290589276 1062401206 /nfs/dbraw/zinc/40/12/06/1062401206.db2.gz FCCBEUCBYUIRPP-OFNKIYASSA-N 1 2 462.602 2.779 20 30 JFEDLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC001290589276 1062401209 /nfs/dbraw/zinc/40/12/09/1062401209.db2.gz FCCBEUCBYUIRPP-OFNKIYASSA-N 1 2 462.602 2.779 20 30 JFEDLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001295877632 1063918820 /nfs/dbraw/zinc/91/88/20/1063918820.db2.gz JUQWIFBYLYFKBQ-UHFFFAOYSA-N 1 2 484.651 2.807 20 30 JFEDLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+]1CCc2sccc2C1 ZINC001295877632 1063918831 /nfs/dbraw/zinc/91/88/31/1063918831.db2.gz JUQWIFBYLYFKBQ-UHFFFAOYSA-N 1 2 484.651 2.807 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291987350 1064600579 /nfs/dbraw/zinc/60/05/79/1064600579.db2.gz SESKLQNAPYUXCX-ROUUACIJSA-N 1 2 468.606 2.603 20 30 JFEDLO C=CC1(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001292156063 1064937231 /nfs/dbraw/zinc/93/72/31/1064937231.db2.gz RDSFONUEKKGRQF-UHFFFAOYSA-N 1 2 459.587 2.827 20 30 JFEDLO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001292185577 1064976929 /nfs/dbraw/zinc/97/69/29/1064976929.db2.gz QWRKSAPRJWKUDW-GOTSBHOMSA-N 1 2 451.619 2.846 20 30 JFEDLO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001292185579 1064977156 /nfs/dbraw/zinc/97/71/56/1064977156.db2.gz QWRKSAPRJWKUDW-PKTZIBPZSA-N 1 2 451.619 2.846 20 30 JFEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC2)C1=O ZINC001164644706 719285471 /nfs/dbraw/zinc/28/54/71/719285471.db2.gz RCCZVAVYYNHSQV-UHFFFAOYSA-N 1 2 463.916 2.797 20 30 JFEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC2)C1=O ZINC001164644706 719285474 /nfs/dbraw/zinc/28/54/74/719285474.db2.gz RCCZVAVYYNHSQV-UHFFFAOYSA-N 1 2 463.916 2.797 20 30 JFEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001164704763 719860246 /nfs/dbraw/zinc/86/02/46/719860246.db2.gz SPANXQULEYNZRZ-KDLAUNOPSA-N 1 2 453.518 2.504 20 30 JFEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164716885 720049343 /nfs/dbraw/zinc/04/93/43/720049343.db2.gz XRJAIQGNPVUMCX-UHFFFAOYSA-N 1 2 467.936 2.583 20 30 JFEDLO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823251 720365335 /nfs/dbraw/zinc/36/53/35/720365335.db2.gz CTCUWCUKPGVVNP-UHFFFAOYSA-N 1 2 496.062 2.738 20 30 JFEDLO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823251 720365346 /nfs/dbraw/zinc/36/53/46/720365346.db2.gz CTCUWCUKPGVVNP-UHFFFAOYSA-N 1 2 496.062 2.738 20 30 JFEDLO N#C[C@@H](c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915188 721788450 /nfs/dbraw/zinc/78/84/50/721788450.db2.gz JRSOTXRGMXHVJK-GJZUVCINSA-N 1 2 474.540 2.774 20 30 JFEDLO N#C[C@@H](c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1)c1ccccc1F ZINC001164915188 721788458 /nfs/dbraw/zinc/78/84/58/721788458.db2.gz JRSOTXRGMXHVJK-GJZUVCINSA-N 1 2 474.540 2.774 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286279069 1060036970 /nfs/dbraw/zinc/03/69/70/1060036970.db2.gz JQLQFWUOZWQGIH-GOSISDBHSA-N 1 2 464.595 2.850 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286282031 1060042407 /nfs/dbraw/zinc/04/24/07/1060042407.db2.gz KRBAVWYSFWTXOF-SFHVURJKSA-N 1 2 462.554 2.700 20 30 JFEDLO C#CCCCCn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001286318343 1060079079 /nfs/dbraw/zinc/07/90/79/1060079079.db2.gz NFEPENCVLCHEHE-XMMPIXPASA-N 1 2 450.631 2.980 20 30 JFEDLO C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286357677 1060117116 /nfs/dbraw/zinc/11/71/16/1060117116.db2.gz YYPIZIQJUGTYEQ-JOCHJYFZSA-N 1 2 464.614 2.712 20 30 JFEDLO C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286363246 1060123930 /nfs/dbraw/zinc/12/39/30/1060123930.db2.gz LTCRXWHVPHGZRH-BVAGGSTKSA-N 1 2 467.614 2.770 20 30 JFEDLO C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286363247 1060124832 /nfs/dbraw/zinc/12/48/32/1060124832.db2.gz LTCRXWHVPHGZRH-JYFHCDHNSA-N 1 2 467.614 2.770 20 30 JFEDLO C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286364115 1060127178 /nfs/dbraw/zinc/12/71/78/1060127178.db2.gz ZGIXXKZUJSXHOY-GOSISDBHSA-N 1 2 450.518 2.907 20 30 JFEDLO C#CCN(c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N(C)C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385321 1060175314 /nfs/dbraw/zinc/17/53/14/1060175314.db2.gz WITLQACKJAWOEU-HXUWFJFHSA-N 1 2 485.013 2.735 20 30 JFEDLO C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387214 1060198726 /nfs/dbraw/zinc/19/87/26/1060198726.db2.gz OWIHVAPFDCRLNL-PXNSSMCTSA-N 1 2 471.558 2.607 20 30 JFEDLO C#CCN(c1nnc(CCCc2ccccc2)n1Cc1c[nH+]ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC001286392171 1060236961 /nfs/dbraw/zinc/23/69/61/1060236961.db2.gz LBVSGKXFQOHZFW-QFIPXVFZSA-N 1 2 479.606 2.532 20 30 JFEDLO C#CCN(c1nnc(CCCc2ccccc2)n1Cc1c[nH+]ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC001286392165 1060237025 /nfs/dbraw/zinc/23/70/25/1060237025.db2.gz LBVSGKXFQOHZFW-JOCHJYFZSA-N 1 2 479.606 2.532 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286395822 1060257657 /nfs/dbraw/zinc/25/76/57/1060257657.db2.gz SLTYZEPFHQCUAU-ZWKOTPCHSA-N 1 2 463.673 2.858 20 30 JFEDLO C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286432567 1060323997 /nfs/dbraw/zinc/32/39/97/1060323997.db2.gz OVDPXOACSHWFJK-AREMUKBSSA-N 1 2 485.636 2.985 20 30 JFEDLO C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286433151 1060325057 /nfs/dbraw/zinc/32/50/57/1060325057.db2.gz AETSIGYVRHEFIJ-UHFFFAOYSA-N 1 2 469.574 2.967 20 30 JFEDLO C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286434923 1060326752 /nfs/dbraw/zinc/32/67/52/1060326752.db2.gz ZDHDXFBNGDRQBU-UHFFFAOYSA-N 1 2 474.540 2.739 20 30 JFEDLO C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001286461375 1060346526 /nfs/dbraw/zinc/34/65/26/1060346526.db2.gz RRIVQWQTQVEVBT-UHFFFAOYSA-N 1 2 488.596 2.835 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001286469703 1060359280 /nfs/dbraw/zinc/35/92/80/1060359280.db2.gz JSCQQWFUCIZJNA-UHFFFAOYSA-N 1 2 471.675 2.948 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CSCCS2)CC1 ZINC001286473322 1060374145 /nfs/dbraw/zinc/37/41/45/1060374145.db2.gz KOBSFRJMOWJDEP-HNNXBMFYSA-N 1 2 467.462 2.640 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001286474095 1060380081 /nfs/dbraw/zinc/38/00/81/1060380081.db2.gz ADSABBIASMNPCC-UHFFFAOYSA-N 1 2 468.993 2.757 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)CC1 ZINC001286474175 1060381027 /nfs/dbraw/zinc/38/10/27/1060381027.db2.gz DFYIIOCMKREDMP-UHFFFAOYSA-N 1 2 457.991 2.765 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001286474454 1060383763 /nfs/dbraw/zinc/38/37/63/1060383763.db2.gz FPKVKBIBTZCLSG-UHFFFAOYSA-N 1 2 480.414 2.972 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001286474438 1060383857 /nfs/dbraw/zinc/38/38/57/1060383857.db2.gz JUNCFOXAMRBJTO-TZIWHRDSSA-N 1 2 453.587 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCNC(=O)[C@@H](C)CCC)CC1 ZINC001286474822 1060387270 /nfs/dbraw/zinc/38/72/70/1060387270.db2.gz QOIPZPGPGMOLJX-SFHVURJKSA-N 1 2 473.021 2.915 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2csc([C@@H](C)OC)n2)CC1 ZINC001286474806 1060387467 /nfs/dbraw/zinc/38/74/67/1060387467.db2.gz PVCVJXBFTMGXBP-OAHLLOKOSA-N 1 2 457.991 2.961 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCn2nc(C)cc2C)CC1 ZINC001286475062 1060388697 /nfs/dbraw/zinc/38/86/97/1060388697.db2.gz WEJIREFXHZOETH-UHFFFAOYSA-N 1 2 463.586 2.621 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001286474963 1060388840 /nfs/dbraw/zinc/38/88/40/1060388840.db2.gz UCJKRIVEOOXLBJ-HSZRJFAPSA-N 1 2 454.962 2.866 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001286474972 1060388879 /nfs/dbraw/zinc/38/88/79/1060388879.db2.gz UHWPIFANOJLONU-UHFFFAOYSA-N 1 2 481.626 2.915 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001286475187 1060389744 /nfs/dbraw/zinc/38/97/44/1060389744.db2.gz YXLIUNNWTJQFLH-UHFFFAOYSA-N 1 2 496.612 2.584 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2CCOC(C)(C)C)CC1 ZINC001286478546 1060394230 /nfs/dbraw/zinc/39/42/30/1060394230.db2.gz DBQBCHHKCBRITL-UHFFFAOYSA-N 1 2 477.613 2.635 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001286478615 1060394395 /nfs/dbraw/zinc/39/43/95/1060394395.db2.gz BVLPOPVQSLFCTH-MOPGFXCFSA-N 1 2 465.476 2.513 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001286479201 1060396138 /nfs/dbraw/zinc/39/61/38/1060396138.db2.gz GFAOLEAVMMJGNQ-IBGZPJMESA-N 1 2 475.540 2.780 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(COCCOC)cc2)CC1 ZINC001286479901 1060397461 /nfs/dbraw/zinc/39/74/61/1060397461.db2.gz PQBCWKJNACOYSK-UHFFFAOYSA-N 1 2 460.582 2.615 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(CCC)c(=O)c4ccccc43)n2CCCOC(C)C)CC1 ZINC001286479872 1060397889 /nfs/dbraw/zinc/39/78/89/1060397889.db2.gz OZODPPJUNDSXNC-UHFFFAOYSA-N 1 2 477.613 2.635 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001286480367 1060398321 /nfs/dbraw/zinc/39/83/21/1060398321.db2.gz MLJPMPPGQGVDIU-IRLDBZIGSA-N 1 2 486.661 2.699 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CCN(CC(F)(F)F)CC2)CC1 ZINC001286480920 1060400014 /nfs/dbraw/zinc/40/00/14/1060400014.db2.gz RAGNMDGBSWGPPD-HXUWFJFHSA-N 1 2 468.568 2.592 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2CCCC2)CC1 ZINC001286481353 1060401115 /nfs/dbraw/zinc/40/11/15/1060401115.db2.gz UKZCOPZDTKFULM-FQEVSTJZSA-N 1 2 458.607 2.532 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001286481822 1060404661 /nfs/dbraw/zinc/40/46/61/1060404661.db2.gz YBGFBAXMSNYPBT-IBVKSMDESA-N 1 2 498.628 2.649 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCc2nc(C)c(C)s2)CC1 ZINC001286483333 1060407723 /nfs/dbraw/zinc/40/77/23/1060407723.db2.gz HCHIYFIJQVGWDT-UHFFFAOYSA-N 1 2 450.612 2.971 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001286483435 1060409236 /nfs/dbraw/zinc/40/92/36/1060409236.db2.gz KPGOJCYEZMLHEP-UHFFFAOYSA-N 1 2 462.642 3.000 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001286483634 1060409875 /nfs/dbraw/zinc/40/98/75/1060409875.db2.gz RTHLVYOMMIKXEX-UHFFFAOYSA-N 1 2 493.612 2.551 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2c[nH]nc2C)CC1 ZINC001286484027 1060413315 /nfs/dbraw/zinc/41/33/15/1060413315.db2.gz FXYGCIWNJSGKHL-UHFFFAOYSA-N 1 2 453.978 2.930 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001286484365 1060416119 /nfs/dbraw/zinc/41/61/19/1060416119.db2.gz MOPOGOOPJSCZSO-IBGZPJMESA-N 1 2 473.046 2.894 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCOCC2CC2)CC1 ZINC001286485362 1060424241 /nfs/dbraw/zinc/42/42/41/1060424241.db2.gz JDEZYSTURCTFBF-OYRHEFFESA-N 1 2 472.634 2.621 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001286485431 1060425363 /nfs/dbraw/zinc/42/53/63/1060425363.db2.gz LLKNWZYGZMLNCX-PXNSSMCTSA-N 1 2 479.503 2.546 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(Cl)cc2)CC1 ZINC001286485325 1060425434 /nfs/dbraw/zinc/42/54/34/1060425434.db2.gz ZBKGYVGEABPTQI-UHFFFAOYSA-N 1 2 469.014 2.921 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)[C@H](C)CCC)CC1 ZINC001286485555 1060426436 /nfs/dbraw/zinc/42/64/36/1060426436.db2.gz PSRSELMBKRSAMG-NJDAHSKKSA-N 1 2 458.651 2.504 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC001286485600 1060427616 /nfs/dbraw/zinc/42/76/16/1060427616.db2.gz QZZQCDSKTSVKLI-NNWRFLSQSA-N 1 2 474.005 2.798 20 30 JFEDLO C#CCSCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286506518 1060534680 /nfs/dbraw/zinc/53/46/80/1060534680.db2.gz JFLZYVJGZRWQPA-UHFFFAOYSA-N 1 2 492.690 2.527 20 30 JFEDLO C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001286508811 1060539843 /nfs/dbraw/zinc/53/98/43/1060539843.db2.gz WVCPGELTNJLPPR-UHFFFAOYSA-N 1 2 453.641 2.717 20 30 JFEDLO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001286511462 1060545023 /nfs/dbraw/zinc/54/50/23/1060545023.db2.gz LOODFROHAQCWDH-UHFFFAOYSA-N 1 2 497.644 2.976 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286556201 1060625462 /nfs/dbraw/zinc/62/54/62/1060625462.db2.gz BNJROKWBSFFFNY-URXFXBBRSA-N 1 2 455.603 2.627 20 30 JFEDLO C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286556203 1060625480 /nfs/dbraw/zinc/62/54/80/1060625480.db2.gz BNJROKWBSFFFNY-ZJSXRUAMSA-N 1 2 455.603 2.627 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562923 1060643601 /nfs/dbraw/zinc/64/36/01/1060643601.db2.gz MVTAROCUPPAMOX-VJBWXMMDSA-N 1 2 474.694 2.788 20 30 JFEDLO C=C(Cn1c(COCC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)c1ccccc1 ZINC001286618877 1060734235 /nfs/dbraw/zinc/73/42/35/1060734235.db2.gz JOQDLKBDMUTPJC-OAQYLSRUSA-N 1 2 452.603 2.661 20 30 JFEDLO C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286676122 1060789526 /nfs/dbraw/zinc/78/95/26/1060789526.db2.gz WLDPBLPPLCOXLB-JOCHJYFZSA-N 1 2 482.677 2.875 20 30 JFEDLO C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286726731 1060848428 /nfs/dbraw/zinc/84/84/28/1060848428.db2.gz IDAGERCDQUGLDD-GOSISDBHSA-N 1 2 457.579 2.718 20 30 JFEDLO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286777711 1060914554 /nfs/dbraw/zinc/91/45/54/1060914554.db2.gz ILQRTDSMEMAEKS-NRFANRHFSA-N 1 2 486.686 2.996 20 30 JFEDLO C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001286788495 1060946038 /nfs/dbraw/zinc/94/60/38/1060946038.db2.gz XOEHJZWLZDSBEP-OAQYLSRUSA-N 1 2 489.020 2.676 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286798509 1060979119 /nfs/dbraw/zinc/97/91/19/1060979119.db2.gz IONJXVNVJKYVCS-IRFCIJBXSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286798509 1060979137 /nfs/dbraw/zinc/97/91/37/1060979137.db2.gz IONJXVNVJKYVCS-IRFCIJBXSA-N 1 2 473.643 2.712 20 30 JFEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001286801309 1060985969 /nfs/dbraw/zinc/98/59/69/1060985969.db2.gz XWWGWAWYCLSOEC-AUSIDOKSSA-N 1 2 486.592 2.503 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001286818960 1061039293 /nfs/dbraw/zinc/03/92/93/1061039293.db2.gz VBFBALGBJZEYST-IBGZPJMESA-N 1 2 454.600 2.585 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001286818960 1061039303 /nfs/dbraw/zinc/03/93/03/1061039303.db2.gz VBFBALGBJZEYST-IBGZPJMESA-N 1 2 454.600 2.585 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286822691 1061058939 /nfs/dbraw/zinc/05/89/39/1061058939.db2.gz NFEHYVSHZBLGMM-UHFFFAOYSA-N 1 2 498.628 2.716 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001286822691 1061058953 /nfs/dbraw/zinc/05/89/53/1061058953.db2.gz NFEHYVSHZBLGMM-UHFFFAOYSA-N 1 2 498.628 2.716 20 30 JFEDLO Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001289879771 1061565446 /nfs/dbraw/zinc/56/54/46/1061565446.db2.gz UKPJGKDMDONYAW-LJQANCHMSA-N 1 2 456.616 2.718 20 30 JFEDLO Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001289879771 1061565461 /nfs/dbraw/zinc/56/54/61/1061565461.db2.gz UKPJGKDMDONYAW-LJQANCHMSA-N 1 2 456.616 2.718 20 30 JFEDLO Cc1nc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC(F)F)CC2)cc[nH+]1 ZINC001290501546 1062293757 /nfs/dbraw/zinc/29/37/57/1062293757.db2.gz OAJPXPHLSFROPQ-UHFFFAOYSA-N 1 2 454.485 2.524 20 30 JFEDLO Cc1[nH+]ccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001290513476 1062312102 /nfs/dbraw/zinc/31/21/02/1062312102.db2.gz ABNKPDLUIHFGJG-UHFFFAOYSA-N 1 2 462.602 2.959 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291598281 1064133438 /nfs/dbraw/zinc/13/34/38/1064133438.db2.gz AEAJBLIMOBUHMN-MOPGFXCFSA-N 1 2 455.582 2.850 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291598281 1064133441 /nfs/dbraw/zinc/13/34/41/1064133441.db2.gz AEAJBLIMOBUHMN-MOPGFXCFSA-N 1 2 455.582 2.850 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001296134915 1064237479 /nfs/dbraw/zinc/23/74/79/1064237479.db2.gz SFSBOTZQTOLTGV-KPQWGBOZSA-N 1 2 469.609 2.939 20 30 JFEDLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296135489 1064240184 /nfs/dbraw/zinc/24/01/84/1064240184.db2.gz ZGLGXLOAMNCRBN-SFTDATJTSA-N 1 2 451.619 2.991 20 30 JFEDLO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291796638 1064305083 /nfs/dbraw/zinc/30/50/83/1064305083.db2.gz LAPAIRYAYDURMD-SFHVURJKSA-N 1 2 473.585 2.547 20 30 JFEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164708076 719869695 /nfs/dbraw/zinc/86/96/95/719869695.db2.gz XNCGPXPNUMPSDK-BKMJKUGQSA-N 1 2 464.566 2.959 20 30 JFEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912994 721770663 /nfs/dbraw/zinc/77/06/63/721770663.db2.gz SSZGVUMXMCXIHZ-SHQCIBLASA-N 1 2 470.577 2.943 20 30 JFEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912994 721770665 /nfs/dbraw/zinc/77/06/65/721770665.db2.gz SSZGVUMXMCXIHZ-SHQCIBLASA-N 1 2 470.577 2.943 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001286300251 1060052793 /nfs/dbraw/zinc/05/27/93/1060052793.db2.gz QBTDSJBTTYKNRY-GCJKJVERSA-N 1 2 450.612 2.993 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001286300251 1060052809 /nfs/dbraw/zinc/05/28/09/1060052809.db2.gz QBTDSJBTTYKNRY-GCJKJVERSA-N 1 2 450.612 2.993 20 30 JFEDLO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001286311318 1060070041 /nfs/dbraw/zinc/07/00/41/1060070041.db2.gz HBDATPQRVWGHJH-UHFFFAOYSA-N 1 2 473.581 2.914 20 30 JFEDLO C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286374530 1060136021 /nfs/dbraw/zinc/13/60/21/1060136021.db2.gz ZZMYOIYYLCODMO-INIZCTEOSA-N 1 2 452.513 2.717 20 30 JFEDLO C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286374530 1060136030 /nfs/dbraw/zinc/13/60/30/1060136030.db2.gz ZZMYOIYYLCODMO-INIZCTEOSA-N 1 2 452.513 2.717 20 30 JFEDLO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393202 1060242309 /nfs/dbraw/zinc/24/23/09/1060242309.db2.gz KUUCOIQQRPSYAP-NHCUHLMSSA-N 1 2 475.634 2.935 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001286459141 1060341954 /nfs/dbraw/zinc/34/19/54/1060341954.db2.gz KVAUAEBNYKLRJB-HXUWFJFHSA-N 1 2 454.600 2.505 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286459386 1060342637 /nfs/dbraw/zinc/34/26/37/1060342637.db2.gz OGMANECFMPASCG-XMMPIXPASA-N 1 2 460.582 2.808 20 30 JFEDLO C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001286463737 1060351865 /nfs/dbraw/zinc/35/18/65/1060351865.db2.gz SINRNMZUADNJKO-UHFFFAOYSA-N 1 2 496.999 2.973 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2sc(C)nc2C)CC1 ZINC001286469260 1060357950 /nfs/dbraw/zinc/35/79/50/1060357950.db2.gz CLAJWSHDKOCMIU-UHFFFAOYSA-N 1 2 498.056 2.933 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCc2nc(C)no2)CC1 ZINC001286470833 1060363548 /nfs/dbraw/zinc/36/35/48/1060363548.db2.gz DHLPOYVZRROUCM-KRWDZBQOSA-N 1 2 453.522 2.637 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NC2CCCCC2)CC1 ZINC001286471510 1060366405 /nfs/dbraw/zinc/36/64/05/1060366405.db2.gz LEQXNDHOUJONJI-IBGZPJMESA-N 1 2 468.577 2.761 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001286472005 1060367549 /nfs/dbraw/zinc/36/75/49/1060367549.db2.gz PWCKAOOMDACVQB-LJQANCHMSA-N 1 2 484.576 2.791 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CC)Oc2ccccc2F)CC1 ZINC001286472425 1060369022 /nfs/dbraw/zinc/36/90/22/1060369022.db2.gz HPDUKAFBYDZFMF-NLFFAJNJSA-N 1 2 471.577 2.682 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2c[nH]nc2C)CC1 ZINC001286472489 1060369567 /nfs/dbraw/zinc/36/95/67/1060369567.db2.gz UEZAFWHYKPKPJG-LJQANCHMSA-N 1 2 451.550 2.977 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CC(=O)NCC=C)CC1 ZINC001286472482 1060369759 /nfs/dbraw/zinc/36/97/59/1060369759.db2.gz UERUGLRNDVMUPS-LJQANCHMSA-N 1 2 471.005 2.746 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCNC(=O)C2CCC2)CC1 ZINC001286472875 1060371915 /nfs/dbraw/zinc/37/19/15/1060371915.db2.gz MAQGYYZAQIFDOO-UHFFFAOYSA-N 1 2 485.430 2.769 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC(=O)NC2CCCCC2)CC1 ZINC001286473299 1060373162 /nfs/dbraw/zinc/37/31/62/1060373162.db2.gz PUWRZXSKNKIMIY-UHFFFAOYSA-N 1 2 485.430 2.912 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[C@H]2CCO[C@H](C)C2)CC1 ZINC001286473226 1060374035 /nfs/dbraw/zinc/37/40/35/1060374035.db2.gz IZOUSKCFNGEAIX-UXHICEINSA-N 1 2 453.587 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(C)cc2C)CC1 ZINC001286473325 1060374861 /nfs/dbraw/zinc/37/48/61/1060374861.db2.gz QMAXAZJDSCDJIS-SANMLTNESA-N 1 2 451.615 2.933 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCCC(=O)NC2CC2)CC1 ZINC001286473593 1060376417 /nfs/dbraw/zinc/37/64/17/1060376417.db2.gz UMJINEUNQKJGOD-UHFFFAOYSA-N 1 2 471.403 2.522 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001286473805 1060378449 /nfs/dbraw/zinc/37/84/49/1060378449.db2.gz XTKBNIPPAHTPPS-DEOSSOPVSA-N 1 2 475.540 2.724 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001286473806 1060378522 /nfs/dbraw/zinc/37/85/22/1060378522.db2.gz XTKBNIPPAHTPPS-XMMPIXPASA-N 1 2 475.540 2.724 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ncccc2N(C)C)CC1 ZINC001286474025 1060380260 /nfs/dbraw/zinc/38/02/60/1060380260.db2.gz XFNSOWXKAWKVQF-UHFFFAOYSA-N 1 2 467.524 2.811 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OCCC)nc2)CC1 ZINC001286474221 1060381999 /nfs/dbraw/zinc/38/19/99/1060381999.db2.gz FMZNUGMTYYJBDJ-UHFFFAOYSA-N 1 2 451.962 2.981 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCN(C)S(=O)(=O)CC)CC1 ZINC001286474316 1060382031 /nfs/dbraw/zinc/38/20/31/1060382031.db2.gz COSRRGDGVKVUIW-UHFFFAOYSA-N 1 2 499.468 2.679 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001286474363 1060383025 /nfs/dbraw/zinc/38/30/25/1060383025.db2.gz DLVXYLUFCUANMS-UHFFFAOYSA-N 1 2 481.482 2.956 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@](C)(O)CCOC)CC1 ZINC001286474475 1060383891 /nfs/dbraw/zinc/38/38/91/1060383891.db2.gz GEAQQYSDSAGXCL-NRFANRHFSA-N 1 2 452.386 2.795 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC001286477213 1060393161 /nfs/dbraw/zinc/39/31/61/1060393161.db2.gz RWSFJMWFVGFWIO-UHFFFAOYSA-N 1 2 456.497 2.881 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001286478275 1060393599 /nfs/dbraw/zinc/39/35/99/1060393599.db2.gz BIDHMOONULPPGA-GOSISDBHSA-N 1 2 457.447 2.870 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2CCCOC2)CC1 ZINC001286479242 1060396433 /nfs/dbraw/zinc/39/64/33/1060396433.db2.gz GIEKMNIUGJLSDV-FQEVSTJZSA-N 1 2 472.634 2.574 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCN(CC)C(=O)OC(C)(C)C)CC1 ZINC001286479909 1060397793 /nfs/dbraw/zinc/39/77/93/1060397793.db2.gz PWTKOUVRGWKNPX-UHFFFAOYSA-N 1 2 453.591 2.661 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001286479914 1060397934 /nfs/dbraw/zinc/39/79/34/1060397934.db2.gz QCAMWBBUDNHJQM-FQEVSTJZSA-N 1 2 479.654 2.725 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001286480504 1060399017 /nfs/dbraw/zinc/39/90/17/1060399017.db2.gz YHANBPFBXAECQK-LJQANCHMSA-N 1 2 453.591 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2(CCOC)CC2)CC1 ZINC001286481362 1060402270 /nfs/dbraw/zinc/40/22/70/1060402270.db2.gz UNWYUZPLHVJJBB-UHFFFAOYSA-N 1 2 486.661 2.965 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001286481605 1060403163 /nfs/dbraw/zinc/40/31/63/1060403163.db2.gz HEIKKWNHLFWMNC-UHFFFAOYSA-N 1 2 452.603 2.847 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 ZINC001286482681 1060406678 /nfs/dbraw/zinc/40/66/78/1060406678.db2.gz VESOVWMQBAXUHH-IBGZPJMESA-N 1 2 473.647 2.550 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NC2CCCCC2)CC1 ZINC001286482470 1060406763 /nfs/dbraw/zinc/40/67/63/1060406763.db2.gz RUMOJZGLBTVBRI-UHFFFAOYSA-N 1 2 452.578 2.602 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC001286483248 1060407848 /nfs/dbraw/zinc/40/78/48/1060407848.db2.gz DIZZRARMWJJMNY-NRFANRHFSA-N 1 2 478.494 2.777 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001286483587 1060409249 /nfs/dbraw/zinc/40/92/49/1060409249.db2.gz QICAOGXSQQMIBN-NRFANRHFSA-N 1 2 460.548 2.703 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOc2ccc(F)cc2)CC1 ZINC001286483928 1060412185 /nfs/dbraw/zinc/41/21/85/1060412185.db2.gz ARDPJCAOCHYMOO-UHFFFAOYSA-N 1 2 482.585 2.633 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001286484063 1060413279 /nfs/dbraw/zinc/41/32/79/1060413279.db2.gz DHISVMULFQMFPU-UHFFFAOYSA-N 1 2 455.513 2.545 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(Cl)c(OC)c2)CC1 ZINC001286484929 1060421384 /nfs/dbraw/zinc/42/13/84/1060421384.db2.gz QWPLMCXECGLRJM-UHFFFAOYSA-N 1 2 468.005 2.800 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNC(=O)[C@@H](C)CCC)CC1 ZINC001286485556 1060426370 /nfs/dbraw/zinc/42/63/70/1060426370.db2.gz PSRSELMBKRSAMG-PWRODBHTSA-N 1 2 458.651 2.504 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001286485777 1060429381 /nfs/dbraw/zinc/42/93/81/1060429381.db2.gz XYNVJEVWNJQTEC-XLGIIRLISA-N 1 2 469.605 2.999 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2Cc2snnc2C)CC1 ZINC001286485804 1060429451 /nfs/dbraw/zinc/42/94/51/1060429451.db2.gz YNECDLXKECKJBE-UHFFFAOYSA-N 1 2 455.613 2.542 20 30 JFEDLO C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001286500684 1060524721 /nfs/dbraw/zinc/52/47/21/1060524721.db2.gz BZZKSSBWUFNISF-UHFFFAOYSA-N 1 2 473.046 2.709 20 30 JFEDLO C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001286529988 1060561846 /nfs/dbraw/zinc/56/18/46/1060561846.db2.gz CIVJZALSMZAOOU-UHFFFAOYSA-N 1 2 480.436 2.510 20 30 JFEDLO C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286533121 1060569650 /nfs/dbraw/zinc/56/96/50/1060569650.db2.gz SIAPLBPJINXDPD-SFHVURJKSA-N 1 2 498.429 2.858 20 30 JFEDLO C=C(C)CN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001286572909 1060663450 /nfs/dbraw/zinc/66/34/50/1060663450.db2.gz CSICTLAXPSRPSP-LJQANCHMSA-N 1 2 465.602 2.798 20 30 JFEDLO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001286598333 1060699020 /nfs/dbraw/zinc/69/90/20/1060699020.db2.gz GHRSGWZYIJJNRV-NRFANRHFSA-N 1 2 482.629 2.965 20 30 JFEDLO C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001286627261 1060746972 /nfs/dbraw/zinc/74/69/72/1060746972.db2.gz BSCSAIOZXSWLLP-KRWDZBQOSA-N 1 2 465.385 2.836 20 30 JFEDLO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001286711722 1060832701 /nfs/dbraw/zinc/83/27/01/1060832701.db2.gz RWBTVEFAQHRHON-QFIPXVFZSA-N 1 2 453.635 2.846 20 30 JFEDLO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001286715888 1060840464 /nfs/dbraw/zinc/84/04/64/1060840464.db2.gz XLALOHLSDFPAIG-HXUWFJFHSA-N 1 2 461.010 2.841 20 30 JFEDLO C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286778405 1060915579 /nfs/dbraw/zinc/91/55/79/1060915579.db2.gz AEHQZFBSWPXIGG-JOCHJYFZSA-N 1 2 463.586 2.741 20 30 JFEDLO C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286781521 1060926225 /nfs/dbraw/zinc/92/62/25/1060926225.db2.gz ZXWUPRWJUDNPAU-HXUWFJFHSA-N 1 2 490.612 2.762 20 30 JFEDLO C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001286785276 1060939943 /nfs/dbraw/zinc/93/99/43/1060939943.db2.gz IEKGIBKFYRDOHW-UHFFFAOYSA-N 1 2 451.962 2.618 20 30 JFEDLO C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001286797321 1060976038 /nfs/dbraw/zinc/97/60/38/1060976038.db2.gz UDHDCSFRYXPSEC-OAQYLSRUSA-N 1 2 473.643 2.571 20 30 JFEDLO Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)[nH+]1 ZINC001290008004 1061732010 /nfs/dbraw/zinc/73/20/10/1061732010.db2.gz OGGZUQPBYYKPFS-UHFFFAOYSA-N 1 2 459.554 2.624 20 30 JFEDLO C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286969757 1061746465 /nfs/dbraw/zinc/74/64/65/1061746465.db2.gz ISENDBPUKYZHTA-DVECYGJZSA-N 1 2 481.626 2.533 20 30 JFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(C#N)cc3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC001290287126 1062016445 /nfs/dbraw/zinc/01/64/45/1062016445.db2.gz IEWWGSVGLATVHL-FXAWDEMLSA-N 1 2 467.599 2.769 20 30 JFEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(C#N)cc3)nnc1N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC001290287129 1062016508 /nfs/dbraw/zinc/01/65/08/1062016508.db2.gz IEWWGSVGLATVHL-YLJYHZDGSA-N 1 2 467.599 2.769 20 30 JFEDLO CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC(C)(C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001294765765 1062356613 /nfs/dbraw/zinc/35/66/13/1062356613.db2.gz XPWMVDBELUAMJL-LJQANCHMSA-N 1 2 492.628 2.914 20 30 JFEDLO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291403720 1063970399 /nfs/dbraw/zinc/97/03/99/1063970399.db2.gz OJLGLCZIDJLAKV-SIBVEZHUSA-N 1 2 490.612 2.951 20 30 JFEDLO CC[C@H](C)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291524048 1064074303 /nfs/dbraw/zinc/07/43/03/1064074303.db2.gz FCKPLTDYOYAFKY-OALUTQOASA-N 1 2 466.634 2.600 20 30 JFEDLO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001292182761 1064973143 /nfs/dbraw/zinc/97/31/43/1064973143.db2.gz AXDVQIZBVFZIDY-WMZHIEFXSA-N 1 2 479.629 2.811 20 30 JFEDLO CCc1nc(C)c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)o1 ZINC001292684386 1065426802 /nfs/dbraw/zinc/42/68/02/1065426802.db2.gz NNOGHTWTGPRSNF-UHFFFAOYSA-N 1 2 490.612 2.714 20 30 JFEDLO Cc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c(C#N)c(Cl)c2c1 ZINC001164716738 720049407 /nfs/dbraw/zinc/04/94/07/720049407.db2.gz WVNWTZHJNKMMOQ-UHFFFAOYSA-N 1 2 463.973 2.752 20 30 JFEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164833191 720482969 /nfs/dbraw/zinc/48/29/69/720482969.db2.gz NEHTTYWDWCBVLL-NRFANRHFSA-N 1 2 464.614 2.753 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286279421 1060037436 /nfs/dbraw/zinc/03/74/36/1060037436.db2.gz MFFLSEJHCDOVBR-FHWLQOOXSA-N 1 2 473.643 2.694 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286280577 1060039966 /nfs/dbraw/zinc/03/99/66/1060039966.db2.gz AKYVEEBMIHKWLI-GOSISDBHSA-N 1 2 456.558 2.668 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286281971 1060041576 /nfs/dbraw/zinc/04/15/76/1060041576.db2.gz KAITZMNPBMVUBX-PKOBYXMFSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286281971 1060041596 /nfs/dbraw/zinc/04/15/96/1060041596.db2.gz KAITZMNPBMVUBX-PKOBYXMFSA-N 1 2 476.585 2.921 20 30 JFEDLO C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001286306746 1060059341 /nfs/dbraw/zinc/05/93/41/1060059341.db2.gz XLZGZJITOXJDPK-WZONZLPQSA-N 1 2 459.591 2.662 20 30 JFEDLO C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001286359128 1060118068 /nfs/dbraw/zinc/11/80/68/1060118068.db2.gz QUFKYAFSTZTZBR-HXUWFJFHSA-N 1 2 473.585 2.717 20 30 JFEDLO C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001286359128 1060118075 /nfs/dbraw/zinc/11/80/75/1060118075.db2.gz QUFKYAFSTZTZBR-HXUWFJFHSA-N 1 2 473.585 2.717 20 30 JFEDLO C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccccc1-n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001286384085 1060167620 /nfs/dbraw/zinc/16/76/20/1060167620.db2.gz GYCJTWANZCOVEB-ICSRJNTNSA-N 1 2 452.584 2.652 20 30 JFEDLO C#CCN(CC#CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286426533 1060316889 /nfs/dbraw/zinc/31/68/89/1060316889.db2.gz YFECJHJYGYEKRB-UHFFFAOYSA-N 1 2 452.522 2.566 20 30 JFEDLO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001286436309 1060327995 /nfs/dbraw/zinc/32/79/95/1060327995.db2.gz ZKLSEUAYZKFPRD-UHFFFAOYSA-N 1 2 493.999 2.601 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccsc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286458026 1060339694 /nfs/dbraw/zinc/33/96/94/1060339694.db2.gz IBWMPWIILURNKS-UHFFFAOYSA-N 1 2 480.613 2.873 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286461762 1060347219 /nfs/dbraw/zinc/34/72/19/1060347219.db2.gz WVIZHLPBSWZQTH-IBGZPJMESA-N 1 2 496.612 2.769 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286461762 1060347240 /nfs/dbraw/zinc/34/72/40/1060347240.db2.gz WVIZHLPBSWZQTH-IBGZPJMESA-N 1 2 496.612 2.769 20 30 JFEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286461724 1060347271 /nfs/dbraw/zinc/34/72/71/1060347271.db2.gz VZPXPPGCJFFPBW-NRFANRHFSA-N 1 2 465.577 2.639 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2ncc(CC)s2)CC1 ZINC001286469555 1060358657 /nfs/dbraw/zinc/35/86/57/1060358657.db2.gz IYDZXTIYLXDMSV-UHFFFAOYSA-N 1 2 463.611 2.970 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)Oc2ccccc2F)CC1 ZINC001286469756 1060359221 /nfs/dbraw/zinc/35/92/21/1060359221.db2.gz KPJWGZCQNMQRRV-GOSISDBHSA-N 1 2 456.566 2.558 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001286471867 1060366852 /nfs/dbraw/zinc/36/68/52/1060366852.db2.gz ONJYMSVVFAOFPP-GOSISDBHSA-N 1 2 460.648 2.754 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001286471752 1060367210 /nfs/dbraw/zinc/36/72/10/1060367210.db2.gz OAXVUNGRIPFGEG-FPOVZHCZSA-N 1 2 468.577 2.571 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(Cl)ccc2OC)CC1 ZINC001286472000 1060367614 /nfs/dbraw/zinc/36/76/14/1060367614.db2.gz CIEOEUVRWIAADN-XMMPIXPASA-N 1 2 474.005 2.784 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOc2ccccc2C(C)C)CC1 ZINC001286472543 1060369523 /nfs/dbraw/zinc/36/95/23/1060369523.db2.gz JHVDGWJVHLQKEW-AREMUKBSSA-N 1 2 467.614 2.888 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2CCn2cncn2)CC1 ZINC001286472847 1060370947 /nfs/dbraw/zinc/37/09/47/1060370947.db2.gz VZMIBYMUPODHAR-LJQANCHMSA-N 1 2 468.993 2.735 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(C)cc2C)CC1 ZINC001286473324 1060374102 /nfs/dbraw/zinc/37/41/02/1060374102.db2.gz QMAXAZJDSCDJIS-AREMUKBSSA-N 1 2 451.615 2.933 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001286473326 1060374762 /nfs/dbraw/zinc/37/47/62/1060374762.db2.gz QMDXHFQVJYMRQC-AREMUKBSSA-N 1 2 467.614 2.672 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001286473430 1060375702 /nfs/dbraw/zinc/37/57/02/1060375702.db2.gz SGJHJZWOHMPWPK-MHZLTWQESA-N 1 2 495.672 2.794 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001286473701 1060376743 /nfs/dbraw/zinc/37/67/43/1060376743.db2.gz RHSRPKJLFVMTBA-DEOSSOPVSA-N 1 2 467.595 2.687 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001286473812 1060378244 /nfs/dbraw/zinc/37/82/44/1060378244.db2.gz XWNUAKUKEWEHJU-DEOSSOPVSA-N 1 2 474.005 2.806 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001286474433 1060382844 /nfs/dbraw/zinc/38/28/44/1060382844.db2.gz JUNCFOXAMRBJTO-CTNGQTDRSA-N 1 2 453.587 2.659 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)C2CC2)CC1 ZINC001286474544 1060384670 /nfs/dbraw/zinc/38/46/70/1060384670.db2.gz MHCDDYYWQFLOPG-NRFANRHFSA-N 1 2 462.367 2.763 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2CCn2cc(C)cn2)CC1 ZINC001286474700 1060386315 /nfs/dbraw/zinc/38/63/15/1060386315.db2.gz OYYQXIJCBXQSMW-UHFFFAOYSA-N 1 2 484.402 2.677 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2csc([C@H](C)OC)n2)CC1 ZINC001286474805 1060386979 /nfs/dbraw/zinc/38/69/79/1060386979.db2.gz PVCVJXBFTMGXBP-HNNXBMFYSA-N 1 2 457.991 2.961 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001286474906 1060387861 /nfs/dbraw/zinc/38/78/61/1060387861.db2.gz MUMYKRSUMKVMMP-UHFFFAOYSA-N 1 2 485.411 2.672 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001286475499 1060390278 /nfs/dbraw/zinc/39/02/78/1060390278.db2.gz ARSCRNRIWNWZBY-HXUWFJFHSA-N 1 2 478.975 2.710 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(Br)c2)CC1 ZINC001286475701 1060390681 /nfs/dbraw/zinc/39/06/81/1060390681.db2.gz GVTWKVAOLHEQAS-UHFFFAOYSA-N 1 2 467.371 2.915 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001286476034 1060391454 /nfs/dbraw/zinc/39/14/54/1060391454.db2.gz LUNZCUCHIPZGSH-AUSIDOKSSA-N 1 2 453.587 2.923 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OCCOCC)CC1 ZINC001286476033 1060391499 /nfs/dbraw/zinc/39/14/99/1060391499.db2.gz LUAJAZFWZHIKNM-UHFFFAOYSA-N 1 2 460.582 2.867 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001286477320 1060393768 /nfs/dbraw/zinc/39/37/68/1060393768.db2.gz WZXNRTWGAHDPFN-UHFFFAOYSA-N 1 2 457.369 2.909 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOCC2CCOCC2)CC1 ZINC001286479688 1060397076 /nfs/dbraw/zinc/39/70/76/1060397076.db2.gz WLJSONBXXJETPQ-UHFFFAOYSA-N 1 2 455.578 2.597 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001286479573 1060397111 /nfs/dbraw/zinc/39/71/11/1060397111.db2.gz VKHSQNJCBPRJKB-QFIPXVFZSA-N 1 2 490.574 2.586 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001286480668 1060399235 /nfs/dbraw/zinc/39/92/35/1060399235.db2.gz OVYXYBSMBNUJBU-RTBURBONSA-N 1 2 494.587 2.572 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001286482468 1060406782 /nfs/dbraw/zinc/40/67/82/1060406782.db2.gz RQTGUSFPVAXFGU-UHFFFAOYSA-N 1 2 473.647 2.646 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC)Oc2ccccc2F)CC1 ZINC001286484038 1060413104 /nfs/dbraw/zinc/41/31/04/1060413104.db2.gz DCJFRAFRWNGGKB-NRFANRHFSA-N 1 2 465.577 2.892 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)CC1 ZINC001286484146 1060414170 /nfs/dbraw/zinc/41/41/70/1060414170.db2.gz JHINTBWRIZFLPI-UHFFFAOYSA-N 1 2 453.587 2.828 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(COC)CCOCC2)CC1 ZINC001286484700 1060419359 /nfs/dbraw/zinc/41/93/59/1060419359.db2.gz VEGFNLOAHXIYKS-UHFFFAOYSA-N 1 2 474.005 2.709 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001286484722 1060419440 /nfs/dbraw/zinc/41/94/40/1060419440.db2.gz NSICNCXKKKUTBK-UHFFFAOYSA-N 1 2 471.565 2.714 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001286484803 1060420555 /nfs/dbraw/zinc/42/05/55/1060420555.db2.gz OWQZHHBWEDGISS-DEOSSOPVSA-N 1 2 451.596 2.890 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001286484886 1060420577 /nfs/dbraw/zinc/42/05/77/1060420577.db2.gz ZRVTWFPPRMWHHJ-UHFFFAOYSA-N 1 2 489.477 2.803 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001286485096 1060421950 /nfs/dbraw/zinc/42/19/50/1060421950.db2.gz CMVDHHHCZFOFCR-XMMPIXPASA-N 1 2 467.595 2.835 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001286485110 1060423201 /nfs/dbraw/zinc/42/32/01/1060423201.db2.gz CTYIPUMJKUTDDO-UNVFRBQDSA-N 1 2 486.661 2.745 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CCn2cc(Cl)cn2)CC1 ZINC001286485198 1060423324 /nfs/dbraw/zinc/42/33/24/1060423324.db2.gz FNEOOLPNQUREFH-UHFFFAOYSA-N 1 2 472.018 2.884 20 30 JFEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CCCc2nc(C)no2)CC1 ZINC001286485771 1060429550 /nfs/dbraw/zinc/42/95/50/1060429550.db2.gz XRRSKYAOIUYVKJ-UHFFFAOYSA-N 1 2 467.599 2.658 20 30 JFEDLO C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286499099 1060520597 /nfs/dbraw/zinc/52/05/97/1060520597.db2.gz DBGQYQSDOBZGLQ-UHFFFAOYSA-N 1 2 479.610 2.754 20 30 JFEDLO C#CCSCCn1c(-c2ccccc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286503183 1060526815 /nfs/dbraw/zinc/52/68/15/1060526815.db2.gz BGCVMXPOPTYFJF-LJQANCHMSA-N 1 2 470.618 2.584 20 30 JFEDLO C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286551736 1060613312 /nfs/dbraw/zinc/61/33/12/1060613312.db2.gz IWZVFJRWBFBEDG-WMZHIEFXSA-N 1 2 471.602 2.712 20 30 JFEDLO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286556202 1060625423 /nfs/dbraw/zinc/62/54/23/1060625423.db2.gz BNJROKWBSFFFNY-XUZZJYLKSA-N 1 2 455.603 2.627 20 30 JFEDLO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562927 1060643635 /nfs/dbraw/zinc/64/36/35/1060643635.db2.gz MVTAROCUPPAMOX-ZRBLBEILSA-N 1 2 474.694 2.788 20 30 JFEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001286589057 1060685326 /nfs/dbraw/zinc/68/53/26/1060685326.db2.gz RXUAEOSOAMGSSU-MRXNPFEDSA-N 1 2 458.994 2.972 20 30 JFEDLO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001286598337 1060698976 /nfs/dbraw/zinc/69/89/76/1060698976.db2.gz GHRSGWZYIJJNRV-OAQYLSRUSA-N 1 2 482.629 2.965 20 30 JFEDLO C=C(C)Cn1c(COc2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286602061 1060704037 /nfs/dbraw/zinc/70/40/37/1060704037.db2.gz WSYJKUAWAFJSSX-UHFFFAOYSA-N 1 2 450.381 2.964 20 30 JFEDLO C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001286758204 1060886134 /nfs/dbraw/zinc/88/61/34/1060886134.db2.gz GNDPCBOJSHBJFY-HXUWFJFHSA-N 1 2 488.633 2.630 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286773301 1060908738 /nfs/dbraw/zinc/90/87/38/1060908738.db2.gz MWRWYYFBTLYTDZ-RTWAWAEBSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001286773301 1060908752 /nfs/dbraw/zinc/90/87/52/1060908752.db2.gz MWRWYYFBTLYTDZ-RTWAWAEBSA-N 1 2 492.665 2.752 20 30 JFEDLO C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286790459 1060951910 /nfs/dbraw/zinc/95/19/10/1060951910.db2.gz FJYNNTFTAKOBFS-UHFFFAOYSA-N 1 2 454.623 2.717 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001286812901 1061006155 /nfs/dbraw/zinc/00/61/55/1061006155.db2.gz PSNIMRDEOAXFTD-YADHBBJMSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001286812901 1061006175 /nfs/dbraw/zinc/00/61/75/1061006175.db2.gz PSNIMRDEOAXFTD-YADHBBJMSA-N 1 2 455.603 2.976 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286821244 1061051294 /nfs/dbraw/zinc/05/12/94/1061051294.db2.gz FHRROGBUXRDLSS-UHFFFAOYSA-N 1 2 470.643 2.661 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286821244 1061051307 /nfs/dbraw/zinc/05/13/07/1061051307.db2.gz FHRROGBUXRDLSS-UHFFFAOYSA-N 1 2 470.643 2.661 20 30 JFEDLO C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286823345 1061062023 /nfs/dbraw/zinc/06/20/23/1061062023.db2.gz MJGCYFIUFBILPU-UHFFFAOYSA-N 1 2 465.595 2.518 20 30 JFEDLO C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001286833072 1061083507 /nfs/dbraw/zinc/08/35/07/1061083507.db2.gz UQCNIOLBVYRERR-VXKWHMMOSA-N 1 2 478.707 2.670 20 30 JFEDLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001286890774 1061356695 /nfs/dbraw/zinc/35/66/95/1061356695.db2.gz QRGLUSLOLFMSJK-UQBPGWFLSA-N 1 2 483.592 2.851 20 30 JFEDLO C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286969753 1061746612 /nfs/dbraw/zinc/74/66/12/1061746612.db2.gz ISENDBPUKYZHTA-CYFREDJKSA-N 1 2 481.626 2.533 20 30 JFEDLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1 ZINC001286979705 1061808600 /nfs/dbraw/zinc/80/86/00/1061808600.db2.gz LWRREDWALZANAZ-ROUUACIJSA-N 1 2 467.599 2.972 20 30 JFEDLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001287157709 1062548660 /nfs/dbraw/zinc/54/86/60/1062548660.db2.gz ODJKKRJEYVMNBB-QFIPXVFZSA-N 1 2 488.596 2.790 20 30 JFEDLO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287457290 1062896188 /nfs/dbraw/zinc/89/61/88/1062896188.db2.gz YZJXHQVHMRFTHQ-OAQYLSRUSA-N 1 2 451.619 2.786 20 30 JFEDLO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287457290 1062896199 /nfs/dbraw/zinc/89/61/99/1062896199.db2.gz YZJXHQVHMRFTHQ-OAQYLSRUSA-N 1 2 451.619 2.786 20 30 JFEDLO CCN(CC)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)c[nH+]1 ZINC001295413067 1063412493 /nfs/dbraw/zinc/41/24/93/1063412493.db2.gz KRZNZFRARSNMAI-UHFFFAOYSA-N 1 2 458.570 2.775 20 30 JFEDLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c[nH+]1 ZINC001295418299 1063424755 /nfs/dbraw/zinc/42/47/55/1063424755.db2.gz FJCNIJQJPPRYMM-IBGZPJMESA-N 1 2 452.588 2.652 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291569600 1064096625 /nfs/dbraw/zinc/09/66/25/1064096625.db2.gz IKNSQSFYKWPIBV-LJQANCHMSA-N 1 2 470.643 2.953 20 30 JFEDLO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291569600 1064096629 /nfs/dbraw/zinc/09/66/29/1064096629.db2.gz IKNSQSFYKWPIBV-LJQANCHMSA-N 1 2 470.643 2.953 20 30 JFEDLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291996046 1064613102 /nfs/dbraw/zinc/61/31/02/1064613102.db2.gz SUEJOEHKGBRDGL-UHFFFAOYSA-N 1 2 467.618 2.815 20 30 JFEDLO