Microstates

Showing 2901 through 3000 of 11295
Rank Microstate SMILES ΔG / kcal M-1
2901 EN300-1600517_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CO)F −10.4 ± 0.4
2902 EN300-62574_4_1 molecule Cn1c(nnn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2903 EN300-7355519_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@@H]6[C@H](O5)CCO6 −10.4 ± 0.3
2904 EN300-98038_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5[nH]c(=O)[nH]n5 −10.4 ± 0.2
2905 EN300-6474341_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6cnnc6C5 −10.4 ± 0.3
2906 EN300-246333_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H](C5)C(=O)NC6=O −10.4 ± 0.4
2907 EN300-146491_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCC(=O)N5 −10.4 ± 0.3
2908 EN300-7444533_3_4 molecule C[C@H]1C[C@H](C(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
2909 EN300-97758_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCF −10.3 ± 0.3
2910 EN300-106023_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cc(no5)C(=O)N −10.3 ± 0.2
2911 EN300-86205_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5c(=O)[nH]cnc5O −10.3 ± 0.4
2912 EN300-72211_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](C5CC5)O −10.3 ± 0.4
2913 EN300-191771_1_1 molecule CS(=O)(=O)C1(CCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2914 EN300-28106_2_2 molecule C[C@H](C(=O)N1CCN(CC1)C(=O)C)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2915 EN300-1915260_1_1 molecule COC[C@@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.4
2916 EN300-113234_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)OC5 −10.3 ± 0.2
2917 EN300-67573_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CCOCC5 −10.3 ± 0.3
2918 EN300-6487680_4_1 molecule Cc1nnn(n1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2919 EN300-299532_3_2 molecule CC(C)([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.3 ± 0.4
2920 EN300-1268016_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@@H](C6)C(=O)N −10.3 ± 0.4
2921 EN300-179352_1_1 molecule CNC(=O)[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
2922 JOH-UNI-f51e3bbc-4_1 molecule COc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.3 ± 0.1
2923 EN300-2977549_2_1 molecule CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
2924 EN300-2977549_2_1 molecule CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
2925 EN300-2977549_2_1 molecule CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
2926 EN300-6499639_1_1 molecule Cc1cc(n(n1)C)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
2927 EN300-6499639_1_1 molecule Cc1cc(n(n1)C)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
2928 EN300-1708882_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5COC[C@H]5O −10.3 ± 0.3
2929 EN300-1911992_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]([C@@H]5CCOC5)O −10.3 ± 0.4
2930 EN300-302290_4_1 molecule CS(=O)(=O)N1CC(C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2931 EN300-101291_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(c(=O)[nH]c5=O)CCO −10.3 ± 0.4
2932 EN300-6763991_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nnc6n5CCOC6 −10.3 ± 0.3
2933 EN300-109920_1_3 molecule C[C@@H]1CO[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.3 ± 0.5
2934 EN300-96175_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOC5=O −10.3 ± 0.6
2935 EN300-04492_1_1 molecule COCCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
2936 EN300-341337_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]56CCO[C@@H]5CCOC6 −10.3 ± 0.3
2937 EN300-45049_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS(=O)(=O)N5 −10.3 ± 0.3
2938 EN300-359750_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC(=O)O5 −10.3 ± 0.3
2939 EN300-181938_2_2 molecule C[C@](CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −10.3 ± 0.3
2940 EN300-219496_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCN(C5)S(=O)(=O)N −10.3 ± 0.3
2941 EN300-7457160_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NO[C@H](C5)CC6(COC6)O −10.3 ± 0.3
2942 EN300-1266218_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6c([nH]n5)nc[nH]c6=O −10.3 ± 0.3
2943 EN300-141628_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccnc(c5)S(=O)(=O)N −10.3 ± 0.5
2944 EN300-248618_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CS(=O)(=O)C5CC5 −10.3 ± 0.4
2945 EN300-861925_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H](CO)F −10.3 ± 0.4
2946 EN300-13499_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCCNC(=O)N −10.3 ± 0.2
2947 EN300-640503_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H](C56CCOCC6)O −10.3 ± 0.3
2948 EN300-203118_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(CO)F −10.3 ± 0.3
2949 EN300-7547467_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCN(C5=O)c6ccn[nH]6 −10.3 ± 0.3
2950 EN300-1911992_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]([C@@H]5CCOC5)O −10.3 ± 0.3
2951 EN300-220194_4_2 molecule C[C@H]([C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −10.3 ± 0.3
2952 MAK-UNK-8be7dca9-4_1 molecule c1cc2cncc(c2cc1N3CCNCC3)NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.33 ± 0.09
2953 EN300-48861_1_1 molecule CNC(=O)Cn1cc(cn1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2954 EN300-270710_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)N −10.3 ± 0.3
2955 EN300-208959_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)C[C@H]5C(F)(F)F −10.3 ± 0.3
2956 EN300-18928_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CSCN5C(=O)C6CC6 −10.3 ± 0.4
2957 EN300-385235_3_2 molecule C[C@]1(CCS(=O)(=O)N1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2958 EN300-41507_1_1 molecule Cc1nccn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
2959 EN300-1704785_1_1 molecule CS(=NC(=O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(=O)C −10.3 ± 0.2
2960 EN300-45049_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCS(=O)(=O)N5 −10.3 ± 0.3
2961 EN300-1703340_1_1 molecule Cc1cc(cn(c1=O)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
2962 EN300-52009_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)O −10.3 ± 0.2
2963 EN300-208993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N6CCNC6=O −10.3 ± 0.3
2964 EN300-1726150_2_1 molecule Cn1cc(cn1)n2cc(nc2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.3 ± 0.4
2965 EN300-1718675_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnnn5C6CC6 −10.3 ± 0.2
2966 EN300-24804_1_1 molecule COC(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
2967 EN300-36096_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCNC5=O −10.3 ± 0.3
2968 EN300-6953121_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5F −10.3 ± 0.2
2969 EN300-305294_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@H]([C@H]6C5)O −10.3 ± 0.3
2970 MAT-POS-8a69d52e-4_2 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −10.33 ± 0.06
2971 EN300-113234_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC(=O)OC5 −10.3 ± 0.4
2972 EN300-6763291_1_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC6CC5[C@H]([C@H]6O)O −10.3 ± 0.3
2973 EN300-23129_3_1 molecule CC(=O)NCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
2974 EN300-152705_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.3 ± 0.3
2975 EN300-300217_2_2 molecule C/C=C/[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
2976 EN300-314088_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)CO)CO −10.3 ± 0.4
2977 EN300-1253122_2_1 molecule CCN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
2978 EN300-1253122_2_1 molecule CCN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
2979 EN300-97300_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5C[C@@H]5F −10.3 ± 0.3
2980 EN300-17184_1_1 molecule C=CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
2981 EN300-299532_2_2 molecule CC(C)([C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.3 ± 0.4
2982 EN300-18569_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.3 ± 0.3
2983 EN300-6763507_1_4 molecule CO[C@H]1C[C@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.3 ± 0.3
2984 EN300-39005_3_1 molecule CN(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.3 ± 0.4
2985 EN300-153245_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@H]5CO)O −10.3 ± 0.3
2986 EN300-172640_3_1 molecule C[C@@H]1[C@@H](NC(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
2987 EN300-124918_2_1 molecule Cn1c(=O)[nH]c(n1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
2988 EN300-1600517_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](CO)F −10.3 ± 0.3
2989 EN300-08259_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCN5CCCC5=O −10.3 ± 0.4
2990 EN300-83918_1_1 molecule CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC −10.3 ± 0.3
2991 EN300-1425677_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCO5)CO −10.3 ± 0.3
2992 EN300-6745081_1_2 molecule C[C@]1(CCCCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
2993 EN300-2011083_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)OCC5 −10.3 ± 0.3
2994 EN300-39007_1_1 molecule CCN(CC(=O)NC)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
2995 EN300-314455_1_1 molecule CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
2996 EN300-260696_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H]([C@H]5n6cccn6)O −10.3 ± 0.4
2997 EN300-1073391_1_1 molecule CN1CC(C1)N(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
2998 EN300-20233_4_1 molecule COCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
2999 EN300-156212_1_1 molecule Cn1c(nnn1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3000 EN300-94479_1_4 molecule C[C@H]1CN(CC[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.3 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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