Microstates

Showing 1001 through 1100 of 6099
Rank Microstate SMILES ΔG / kcal M-1
1001 EN300-107892_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(nn5)C6CC6 −8.2 ± 0.3
1002 EN300-1253178_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CC5 −8.2 ± 0.2
1003 EN300-1253178_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CC5 −8.2 ± 0.2
1004 EN300-311920_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCS(=O)(=O)C5)F −8.2 ± 0.3
1005 EN300-55498_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5ccc(cc5)C(=O)N −8.2 ± 0.2
1006 EN300-317082_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5COC5 −8.2 ± 0.2
1007 EN300-97300_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5F −8.2 ± 0.2
1008 EN300-248521_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)O)CO −8.2 ± 0.2
1009 EN300-151461_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@H]6CCOC6 −8.2 ± 0.2
1010 EN300-201346_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COC(=O)N5 −8.2 ± 0.2
1011 EN300-1696043_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C6COC6 −8.2 ± 0.2
1012 EN300-186943_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCOCC5=O −8.2 ± 0.3
1013 EN300-222145_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CNC(=O)N5 −8.2 ± 0.2
1014 EN300-6736413_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −8.2 ± 0.2
1015 EN300-6736413_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −8.2 ± 0.2
1016 EN300-72211_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CC5)O −8.2 ± 0.3
1017 EN300-21813_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccccc6nn5 −8.2 ± 0.3
1018 EN300-208959_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)C[C@@H]5C(F)(F)F −8.2 ± 0.3
1019 EN300-141254_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCSC[C@H]5c6n[n-]nn6 −8.2 ± 0.3
1020 EN300-7431365_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(c5)CCCNC6=O −8.2 ± 0.2
1021 EN300-97300_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H]5F −8.2 ± 0.2
1022 EN300-227044_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(CO)C#N −8.2 ± 0.2
1023 EN300-10895_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCC#N −8.2 ± 0.2
1024 EN300-91315_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)Cc6ccccn6 −8.2 ± 0.2
1025 EN300-125143_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCCC(=O)N −8.2 ± 0.2
1026 EN300-87536_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCN5C(=O)N −8.2 ± 0.2
1027 EN300-367383_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@]56C[C@H]5COC6 −8.2 ± 0.2
1028 EN300-116234_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCO5 −8.2 ± 0.2
1029 EN300-31562_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]nc5 −8.2 ± 0.2
1030 EN300-817811_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(=O)[nH]cn5 −8.2 ± 0.2
1031 EN300-817811_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(=O)[nH]cn5 −8.2 ± 0.2
1032 EN300-14437_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCS(=O)(=O)C5 −8.2 ± 0.2
1033 EN300-261859_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5c(=O)[nH]sn5 −8.2 ± 0.2
1034 EN300-19762_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)CCO −8.2 ± 0.4
1035 EN300-96159_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5[nH]ncn5 −8.2 ± 0.3
1036 EN300-1425608_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@@H](C5)CO)CCO −8.2 ± 0.3
1037 EN300-149013_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5c(n[nH]n5)Cl −8.2 ± 0.2
1038 EN300-104029_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H](C5)C(=O)NC6=O −8.2 ± 0.3
1039 EN300-60837_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6nncn6c5 −8.2 ± 0.2
1040 EN300-6503811_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](Cc5cnc[nH]5)O −8.2 ± 0.2
1041 EN300-783124_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]([C@H]5CCOC5)F −8.2 ± 0.3
1042 EN300-2924757_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cc5)CC(=O)N −8.2 ± 0.2
1043 EN300-243828_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5c[nH]ncc5=O −8.2 ± 0.2
1044 EN300-359842_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ccnn6ccn5 −8.2 ± 0.2
1045 EN300-1589101_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5c[nH]nc5 −8.2 ± 0.3
1046 EN300-196160_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)(c6n[n-]nn6)O −8.2 ± 0.3
1047 EN300-69107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC5 −8.2 ± 0.2
1048 EN300-69107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC5 −8.2 ± 0.2
1049 EN300-90142_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC[C@@H](C5)C(=O)N −8.2 ± 0.3
1050 EN300-90142_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC[C@H](C5)C(=O)N −8.2 ± 0.3
1051 EN300-1710153_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C(C5)(F)F)O −8.2 ± 0.2
1052 EN300-51350_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCc6nncn6C5 −8.2 ± 0.3
1053 EN300-92031_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nc(no5)c6[nH]ncn6 −8.2 ± 0.3
1054 EN300-6735568_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCc6nncn6C5 −8.2 ± 0.2
1055 EN300-37195_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@H]5CCCCNC5=O −8.2 ± 0.3
1056 EN300-95094_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CSC5 −8.2 ± 0.2
1057 EN300-365017_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)C6(COC6)O −8.2 ± 0.2
1058 EN300-1715993_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5ccnn5 −8.2 ± 0.2
1059 EN300-88656_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCS5(=O)=O −8.2 ± 0.2
1060 EN300-99391_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@H]5CCOC5 −8.2 ± 0.3
1061 EN300-246992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCC(=O)NC5 −8.2 ± 0.2
1062 EN300-695831_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnc(s5)C(=O)N −8.2 ± 0.2
1063 EN300-259849_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC[C@@H](C5=O)O −8.2 ± 0.3
1064 EN300-7385329_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5Cc6[nH+]ccn6C5 −8.2 ± 0.2
1065 EN300-7353672_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@@H](CC5)O)CO −8.1 ± 0.3
1066 EN300-42195_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)CNC(=O)N −8.1 ± 0.3
1067 EN300-1706036_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C(=O)NCCO5 −8.1 ± 0.3
1068 DAR-DIA-0d514e7d-8_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N −8.15 ± 0.09
1069 EN300-37102_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)C5CC5 −8.1 ± 0.3
1070 EN300-195590_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCNC(=O)C5 −8.1 ± 0.3
1071 EN300-148421_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)O −8.1 ± 0.3
1072 EN300-77092_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5OCCO5 −8.1 ± 0.3
1073 EN300-115760_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)c6n[n-]nn6 −8.1 ± 0.3
1074 EN300-122656_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCSC5)O −8.1 ± 0.4
1075 EN300-1600517_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CO)F −8.1 ± 0.2
1076 EN300-188377_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5n[nH]n6 −8.1 ± 0.2
1077 EN300-383891_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)Cc6n[n-]nn6 −8.1 ± 0.3
1078 EN300-6478434_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)CNC(=O)[C@@H]6O −8.1 ± 0.3
1079 EN300-783124_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]([C@@H]5CCOC5)F −8.1 ± 0.3
1080 EN300-861925_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H](CO)F −8.1 ± 0.2
1081 EN300-203118_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(CO)F −8.1 ± 0.3
1082 EN300-14437_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS(=O)(=O)C5 −8.1 ± 0.3
1083 EN300-1725529_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCCO)C5COC5 −8.1 ± 0.4
1084 EN300-59478_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCC(=O)N −8.1 ± 0.3
1085 EN300-1911992_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]([C@H]5CCOC5)O −8.1 ± 0.3
1086 EN300-83280_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5ccccn5 −8.1 ± 0.3
1087 EN300-6482296_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CO[C@@H]6[C@@H]5COC6 −8.1 ± 0.3
1088 EN300-10747_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CSCC5=O −8.1 ± 0.2
1089 EN300-13489_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCN(CC5)C(=O)N −8.1 ± 0.4
1090 EN300-100765_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CNC6=O −8.1 ± 0.2
1091 EN300-1654606_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]5F −8.1 ± 0.2
1092 EN300-1654606_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]5F −8.1 ± 0.2
1093 EN300-210553_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(C(=O)N)O −8.1 ± 0.3
1094 EN300-210553_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(C(=O)N)O −8.1 ± 0.3
1095 EN300-77520_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC5CCOCC5 −8.1 ± 0.2
1096 EN300-6486793_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCC5)S(=O)(=O)N −8.1 ± 0.2
1097 EN300-269453_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCc6nnnn6C5 −8.1 ± 0.3
1098 EN300-7457160_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5=NO[C@@H](C5)CC6(COC6)O −8.1 ± 0.3
1099 EN300-1273016_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCc6n5ncn6 −8.1 ± 0.2
1100 EN300-60330_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CCC6=O −8.1 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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