Microstates

Showing 3001 through 3100 of 11295
Rank Microstate SMILES ΔG / kcal M-1
3001 EN300-195590_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCCNC(=O)C5 −10.3 ± 0.4
3002 EN300-51801_1_1 molecule CCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.3 ± 0.3
3003 EN300-67573_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC5CCOCC5 −10.3 ± 0.3
3004 EN300-126389_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COC(=O)N5 −10.3 ± 0.3
3005 EN300-2007648_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C56CC(C5)CO6 −10.3 ± 0.3
3006 EN300-96037_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@H](C5)O)O −10.3 ± 0.3
3007 EN300-1709745_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cn(nn5)C6COC6 −10.3 ± 0.2
3008 EN300-36931_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CCOCC5)C(=O)N −10.3 ± 0.3
3009 EN300-251851_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]nnn5 −10.3 ± 0.2
3010 EN300-196962_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]5CO −10.3 ± 0.3
3011 EN300-138953_1_2 molecule CC(C)N(C[C@H](CO)O)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.5
3012 EN300-188356_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)F −10.3 ± 0.3
3013 EN300-78368_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCCC5)NC(=O)N −10.3 ± 0.4
3014 EN300-6478433_1_1 molecule CCn1c(nn(c1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.3 ± 0.4
3015 EN300-47500_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCCn5cccn5 −10.3 ± 0.3
3016 EN300-1588907_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5[C@H]6CCO[C@H]6C[C@H]5CO −10.3 ± 0.4
3017 EN300-71558_4_1 molecule COC(=O)NCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3018 EN300-6482296_4_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CO[C@@H]6[C@H]5COC6 −10.3 ± 0.5
3019 EN300-54891_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5CO −10.3 ± 0.3
3020 EN300-1608590_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(on5)N6CCOCC6 −10.3 ± 0.2
3021 EN300-202922_1_4 molecule C[C@H]([C@](C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.3 ± 0.4
3022 EN300-51257_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.3 ± 0.3
3023 EN300-259004_1_1 molecule CC(=O)N1CC(C1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3024 EN300-7471076_1_4 molecule C[C@H]1[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.3 ± 0.3
3025 EN300-383904_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)CO −10.3 ± 0.2
3026 EN300-178288_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@@]6(C5)O −10.3 ± 0.3
3027 EN300-10895_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCC#N −10.3 ± 0.2
3028 EN300-7432898_1_1 molecule CCOC1(CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.3 ± 0.4
3029 EN300-14767_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCN(C5)C(=O)N −10.3 ± 0.3
3030 EN300-4287199_2_1 molecule Cc1cc(cc(=O)n1C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3031 EN300-184446_3_1 molecule Cc1ccn(c(=O)c1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3032 EN300-23214_1_2 molecule CCCNC(=O)[C@H](C)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3033 EN300-31387_1_1 molecule CS(=O)(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3034 EN300-41507_3_1 molecule Cc1nccn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3035 EN300-11441_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc(=O)[nH]c(=O)[nH]5 −10.3 ± 0.2
3036 EN300-1179673_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cccc(c5)C(=O)N −10.3 ± 0.2
3037 EN300-19507_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(F)F −10.3 ± 0.2
3038 EN300-6479181_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 −10.3 ± 0.4
3039 MAK-UNK-83e0a0b4-1_1 molecule CCCCc1ccc2c(c1)[C@@H](CCO2)C(=O)N(CCNC3CNC3)c4cncc5c4ccc(c5)CN6CCNCC6 −10.3 ± 0.5
3040 EN300-1987964_1_1 molecule CS(=O)(=O)Cc1cc(no1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3041 EN300-190283_2_1 molecule Cn1cncc1[C@@H](C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.3 ± 0.4
3042 EN300-123614_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)NC(=O)N −10.3 ± 0.2
3043 EN300-246423_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCC5)O −10.3 ± 0.3
3044 EN300-343474_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCNC5=O −10.3 ± 0.3
3045 EN300-237224_1_1 molecule CN1CCC(CC1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3046 EN300-72730_3_2 molecule C[C@H](C#N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3047 EN300-95698_3_4 molecule C[C@H]1CC(=O)NC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
3048 EN300-6953121_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5C[C@H]5F −10.3 ± 0.3
3049 EN300-6734977_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC56CC(C5)OC6 −10.3 ± 0.3
3050 EN300-1667046_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(c6ccn[nH]6)O −10.3 ± 0.2
3051 EN300-6480588_1_1 molecule COc1ccnc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
3052 EN300-302290_3_1 molecule CS(=O)(=O)N1CC(C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
3053 EN300-27672_1_1 molecule Cc1c(cn[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.2
3054 EN300-219437_3_1 molecule Cc1c(cnn1C)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.4
3055 EN300-393148_3_2 molecule CN1[C@H](CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3056 EN300-1086925_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5COC[C@@H]5n6cccn6 −10.3 ± 0.3
3057 EN300-33657_1_1 molecule CC(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3058 EN300-141809_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CCS(=O)(=O)CC6 −10.3 ± 0.3
3059 EN300-155764_1_1 molecule C[C@@H]1C(=O)N(CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.3 ± 0.3
3060 EN300-73662_1_1 molecule COC(=O)C[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
3061 EN300-343787_3_1 molecule CN1[C@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3062 EN300-100768_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CNC(=O)C6=O −10.3 ± 0.4
3063 EN300-705381_1_1 molecule COC[C@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3064 EN300-23221_1_1 molecule CC(C)NC(=O)CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3065 EN300-169955_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CC(=O)N5)C(F)(F)F −10.3 ± 0.3
3066 EN300-249804_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCOC(=O)N5 −10.3 ± 0.3
3067 EN300-169955_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@H](CC(=O)N5)C(F)(F)F −10.3 ± 0.3
3068 EN300-24102_1_1 molecule Cn1cc(cc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −10.3 ± 0.3
3069 EN300-1915260_2_1 molecule COC[C@@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.4
3070 EN300-134855_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](c5cccnc5)O −10.3 ± 0.3
3071 EN300-697519_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCOC5 −10.3 ± 0.3
3072 EN300-1627945_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@H]5CCCOC5 −10.3 ± 0.3
3073 DAR-DIA-0d514e7d-8_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N −10.28 ± 0.08
3074 EN300-39504_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCS(=O)(=O)N −10.3 ± 0.4
3075 EN300-155498_2_1 molecule CC(=C)[C@H](CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
3076 EN300-6953121_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]5F −10.3 ± 0.2
3077 EN300-300217_4_3 molecule C/C=C\[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.3 ± 0.3
3078 EN300-7443878_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](C5CCOCC5)O −10.3 ± 0.3
3079 EN300-42154_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CCCC5 −10.3 ± 0.3
3080 EN300-6762327_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](Cc5ccccn5)O −10.3 ± 0.3
3081 EN300-108507_1_1 molecule CO[C@@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3082 EN300-7494115_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(=O)[nH]cnc6nc5 −10.3 ± 0.2
3083 EN300-00271_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.3 ± 0.2
3084 EN300-20284_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](C5)O −10.3 ± 0.3
3085 EN300-33398_3_1 molecule CC(C)N1C[C@@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.5
3086 EN300-123205_1_1 molecule CNS(=O)(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
3087 EN300-154332_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]5CO −10.3 ± 0.2
3088 EN300-50639_1_2 molecule C[C@H](C(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cccn5 −10.3 ± 0.4
3089 EN300-226314_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@H]5CCS(=O)(=O)C5 −10.3 ± 0.4
3090 EN300-120068_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)OC −10.3 ± 0.2
3091 EN300-175474_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c(c(=O)[nH]cn6)C5 −10.3 ± 0.4
3092 EN300-7473032_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)[C@@H]5C(=O)N −10.3 ± 0.3
3093 EN300-7473354_1_1 molecule Cc1ncn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3094 EN300-1630093_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@@]5(CCOC5)O −10.3 ± 0.4
3095 EN300-05277_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCC(=O)N5CCOCC5 −10.3 ± 0.3
3096 EN300-244713_1_1 molecule CO[C@H]1C[C@H](N(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.3 ± 0.3
3097 EN300-134855_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](c5cccnc5)O −10.3 ± 0.3
3098 EN300-92664_3_1 molecule COCCn1c(ccn1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
3099 EN300-123398_1_2 molecule CCOC(=O)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F −10.3 ± 0.3
3100 EN300-45384_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCN(CC5)C −10.3 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
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