Microstates

Showing 2001 through 2100 of 6099
Rank Microstate SMILES ΔG / kcal M-1
2001 EN300-42154_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS(=O)(=O)C5CCCC5 −7.4 ± 0.3
2002 EN300-121078_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CC5)CCO −7.4 ± 0.2
2003 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 −7.4 ± 0.3
2004 EN300-16248_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cc5)S(=O)(=O)N −7.4 ± 0.2
2005 EN300-52380_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cn(nn5)CC(=O)N −7.4 ± 0.2
2006 EN300-2007627_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H](C[C@@H](C5)CO)CO −7.4 ± 0.4
2007 EN300-365017_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(on5)C6(COC6)O −7.4 ± 0.3
2008 EN300-51350_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCc6nncn6C5 −7.4 ± 0.3
2009 EN300-6489476_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@H+]6CCNC(=O)C6 −7.4 ± 0.3
2010 EN300-7434114_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)[C@@H](CCCO6)O −7.4 ± 0.2
2011 EN300-332714_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@@H](c5ccccn5)O −7.4 ± 0.4
2012 EN300-36850_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCNC(=O)C5CC5 −7.4 ± 0.3
2013 EN300-139268_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)NCC(F)(F)F −7.4 ± 0.2
2014 EN300-219496_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC[N@](C5)S(=O)(=O)N −7.4 ± 0.6
2015 EN300-226776_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(CO)O −7.4 ± 0.3
2016 EN300-905492_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)c6ncc(cn6)F −7.4 ± 0.3
2017 EN300-36622_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccccc5=O −7.4 ± 0.2
2018 EN300-111006_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccncn5 −7.4 ± 0.2
2019 EN300-6504697_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CC6(CC6)S(=O)(=O)N5 −7.4 ± 0.3
2020 EN300-321053_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCOC[C@@H]5O −7.4 ± 0.2
2021 EN300-80481_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](C5CCOCC5)O −7.4 ± 0.3
2022 EN300-1268512_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5ccsc5S(=O)(=O)N −7.4 ± 0.3
2023 EN300-6792206_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5CCOCC5)O −7.4 ± 0.3
2024 EN300-79180_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CCOCC5)O −7.4 ± 0.3
2025 EN300-107267_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@H]5CCCNC5=O −7.4 ± 0.2
2026 EN300-370753_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC[C@H](C5)C(=O)N −7.4 ± 0.2
2027 EN300-1699871_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCS(=O)(=O)N5 −7.4 ± 0.3
2028 EN300-52383_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)Cn5cncn5 −7.4 ± 0.3
2029 EN300-129424_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC[C@@H]5O −7.4 ± 0.2
2030 EN300-70092_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)C(=O)N −7.4 ± 0.2
2031 EN300-221122_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(c6cn[nH]n6)O −7.4 ± 0.3
2032 EN300-47046_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCN(CC5)C(=O)C6CC6 −7.4 ± 0.3
2033 EN300-60033_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COC[C@@H]5CCCO5 −7.4 ± 0.3
2034 EN300-36158_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COCCO5 −7.4 ± 0.2
2035 EN300-6482296_2_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CO[C@@H]6[C@H]5COC6 −7.4 ± 0.3
2036 EN300-304381_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)CC(=O)N −7.4 ± 0.3
2037 EN300-98429_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cn[nH]n5 −7.4 ± 0.2
2038 EN300-98429_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cn[nH]n5 −7.4 ± 0.2
2039 EN300-6499164_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)N[C@@H]6[C@H]5CC6 −7.4 ± 0.2
2040 EN300-1179690_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(C(=O)N)(F)F −7.4 ± 0.3
2041 EN300-1087187_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6CCC(=O)N[C@@H]6C5 −7.4 ± 0.2
2042 EN300-7355477_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@H]([C@H](C[C@@H]6C5)O)O −7.4 ± 0.3
2043 EN300-154944_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5OCCO5 −7.4 ± 0.2
2044 EN300-252113_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)[C@H]6[C@@H]5CCOC6 −7.4 ± 0.4
2045 EN300-366540_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCOC[C@@H]5O −7.4 ± 0.2
2046 EN300-6745581_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5nncn5C6CC6 −7.4 ± 0.3
2047 EN300-113234_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)OC5 −7.4 ± 0.2
2048 EN300-305294_2_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@H]([C@H]6C5)O −7.4 ± 0.2
2049 EN300-6238494_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@H]5COCCO5 −7.4 ± 0.2
2050 EN300-140582_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5COCC[N@@]5CC(F)F −7.4 ± 0.3
2051 EN300-250593_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CC(=O)N5 −7.4 ± 0.4
2052 EN300-154944_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC5OCCO5 −7.4 ± 0.3
2053 EN300-370951_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N6CCCC6=O −7.4 ± 0.2
2054 EN300-1072972_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCOC5=O −7.4 ± 0.3
2055 EN300-72896_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)N5 −7.4 ± 0.2
2056 EN300-101291_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(c(=O)[nH]c5=O)CCO −7.4 ± 0.3
2057 EN300-134855_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](c5cccnc5)O −7.4 ± 0.3
2058 EN300-65352_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ncccn5 −7.4 ± 0.4
2059 EN300-749499_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5(CCOCC5)O)O −7.4 ± 0.3
2060 EN300-7537194_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccn6cnnc6c5 −7.4 ± 0.3
2061 EN300-266299_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC[C@@H](C5)O −7.4 ± 0.3
2062 EN300-66126_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCCO −7.4 ± 0.2
2063 EN300-1071940_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@]5(CCCOC5)O −7.4 ± 0.2
2064 EN300-74856_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCCS(=O)(=O)C5 −7.4 ± 0.3
2065 EN300-109827_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)COC6=O −7.4 ± 0.2
2066 EN300-1664603_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5ccn[nH]5 −7.4 ± 0.3
2067 EN300-105267_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5cnccn5 −7.4 ± 0.3
2068 EN300-396372_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)C[C@H](CNC6=O)O −7.4 ± 0.3
2069 EN300-69368_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)O −7.4 ± 0.3
2070 EN300-37195_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N[C@H]5CCCCNC5=O −7.4 ± 0.3
2071 EN300-30536_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5c(cn[nH]5)C(=O)N −7.4 ± 0.2
2072 EN300-223187_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5c6c(nn5)CCCC6 −7.3 ± 0.3
2073 EN300-1452069_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](CC5CCOCC5)O −7.3 ± 0.4
2074 EN300-7370063_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CO −7.3 ± 0.2
2075 EN300-7370063_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CO −7.3 ± 0.2
2076 EN300-256798_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCc6nnnn6CC5 −7.3 ± 0.3
2077 EN300-211158_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(cc(c5)CO)CO −7.3 ± 0.3
2078 EN300-7456948_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cccnn5 −7.3 ± 0.3
2079 EN300-1440321_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)S(=O)(=O)N −7.3 ± 0.3
2080 EN300-861925_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H](CO)F −7.3 ± 0.2
2081 EN300-7431964_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5CN(C5)C(=O)N −7.3 ± 0.2
2082 EN300-6493892_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCc5cn[nH]n5 −7.3 ± 0.2
2083 EN300-333468_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnn(c5Cl)CCO −7.3 ± 0.3
2084 EN300-01527_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@H]5CCCO5 −7.3 ± 0.3
2085 EN300-6746622_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)NC(=O)N −7.3 ± 0.2
2086 EN300-77092_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5OCCO5 −7.3 ± 0.2
2087 EN300-205486_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5c[nH]ccc5=O −7.3 ± 0.3
2088 EN300-741926_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]([C@@H](C5)F)O −7.3 ± 0.3
2089 EN300-181558_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCC(CC5)O)O −7.3 ± 0.3
2090 DAR-DIA-23e5a6a0-7_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6([NH2+]5)CCC6)Cl −7.3 ± 0.4
2091 EN300-24419_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(ccs5)S(=O)(=O)N −7.3 ± 0.3
2092 EN300-331993_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)Nc5[nH]ccn5 −7.3 ± 0.2
2093 EN300-124652_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5CC(=O)N −7.3 ± 0.4
2094 MAK-UNK-8be7dca9-7_1 molecule c1cc2cncc(c2cc1C(=O)[O-])NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.3 ± 0.1
2095 EN300-131572_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn6c5cncc6 −7.3 ± 0.2
2096 EN300-208993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N6CCNC6=O −7.3 ± 0.3
2097 EN300-1178209_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5cn[nH]n5 −7.3 ± 0.3
2098 EN300-373552_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cncc(n5)F −7.3 ± 0.2
2099 EN300-331476_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5COC[C@H]5O −7.3 ± 0.2
2100 EN300-6480951_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)[C@@H]6CC(=O)NC6 −7.3 ± 0.2
Last updated 2020-12-09T19:38:12.118034+00:00
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