Microstates

Showing 2101 through 2200 of 7698
Rank Microstate SMILES ΔG / kcal M-1
2101 EN300-173562_1_2_1 molecule C[C@H]1C[C@@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.2
2102 EN300-173562_1_2_1 molecule C[C@H]1C[C@@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.2
2103 MIC-UNK-cdc2493e-8_4 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@H]4CC[C@H]5CCCC[C@@H]5C4 −10.1 ± 0.5
2104 EDG-MED-90036822-56_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC#N −10.1 ± 0.1
2105 EN300-368758_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C[C@@H]6CCCO6 −10.1 ± 0.3
2106 EN300-1697763_2_1_1 molecule C[C@]1(CCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −10.1 ± 0.3
2107 EN300-24014_3_2_1 molecule CS(=O)(=O)[N@]1CCCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.5
2108 EN300-6477207_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6COC[C@H](C5)NC6=O −10.1 ± 0.5
2109 VLA-UCB-50c39ae8-6_1_1 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.1 ± 0.2
2110 EN300-107267_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCCNC5=O −10.1 ± 0.2
2111 EN300-27476_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)n6ccccc6n5 −10.1 ± 0.3
2112 EN300-219437_3_1_1 molecule Cc1c(cnn1C)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2113 EN300-113112_1_1_1 molecule Cn1cnnc1CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
2114 EN300-650518_2_1_1 molecule CO[C@@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
2115 EN300-318058_1_1_1 molecule C[C@@]1(CN(C[C@@]1(C)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.1 ± 0.3
2116 EN300-6482296_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CO[C@@H]6[C@@H]5COC6 −10.1 ± 0.3
2117 EN300-304135_1_2_1 molecule CC[C@]1(CCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2118 EN300-154942_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5OCCO5 −10.1 ± 0.3
2119 EN300-6729572_3_1_1 molecule C[C@@H]([C@@H]1C[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
2120 EDG-MED-90036822-94_7 molecule C[C@@H]1C[C@H]1[C@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −10.1 ± 0.3
2121 EN300-173023_1_1_1 molecule CC(=O)OC1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2122 EN300-7457160_1_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@H](ON5)CC6(COC6)O −10.1 ± 0.3
2123 EN300-345656_1_1_1 molecule C[C@@H]1C[C@@H](NC(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2124 EN300-1072199_1_1_1 molecule CO[C@@]1(CCCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2125 EN300-1215738_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@@H]5CCC(=O)NC5 −10.1 ± 0.3
2126 ALP-UNI-76695c4f-8_1 molecule C[N@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.1 ± 0.3
2127 EN300-246992_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCC(=O)NC5 −10.1 ± 0.3
2128 EN300-649743_2_1_1 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)Cn5cnnn5 −10.1 ± 0.4
2129 EN300-373476_3_1_1 molecule C[C@@]1(CCCS1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
2130 EN300-62857_3_1_1 molecule COCCS(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.6
2131 EN300-122579_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCSC[C@H]5CO −10.1 ± 0.3
2132 EDJ-MED-40433386-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)CO −10.1 ± 0.3
2133 EN300-90142_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[C@@H](C5)C(=O)N −10.1 ± 0.4
2134 EN300-211422_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC5 −10.1 ± 0.2
2135 EN300-1988306_3_1_1 molecule CS(=O)(=O)CCC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
2136 MAT-POS-e9e99895-3_4 molecule C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@H]4CCC(=O)NC4 −10.1 ± 0.3
2137 EN300-6494158_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5C[C@@H](CO5)CO −10.1 ± 0.3
2138 EN300-783124_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H]5CCOC5)F −10.1 ± 0.2
2139 EN300-211482_3_1_1 molecule C[C@@H](C(=O)NC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2140 EN300-211482_3_1_1 molecule C[C@@H](C(=O)NC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2141 EN300-13890_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@@H]5CCS(=O)(=O)C5 −10.1 ± 0.4
2142 EN300-6478526_1_1_1 molecule CNC(=O)N1CCC(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2143 EN300-1273016_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCc6n5ncn6 −10.1 ± 0.3
2144 EN300-114894_1_1_1 molecule CC1(OCCO1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2145 EN300-3044054_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)N5C6CC6 −10.1 ± 0.4
2146 EDG-MED-ba1ac7b9-4_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@H+]6CC[C@H](C6)O −10.1 ± 0.3
2147 EN300-62166_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5CNC(=O)N −10.1 ± 0.3
2148 EN300-182124_1_1_1 molecule COC1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
2149 EN300-65050_2_1_1 molecule CC(C)(CO)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2150 VLA-UCB-34f3ed0c-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccn[nH]5 −10.1 ± 0.2
2151 EN300-248888_1_2_1 molecule C[C@](C=C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.1 ± 0.3
2152 EN300-378044_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC=CCO5 −10.1 ± 0.3
2153 EN300-261986_3_1_1 molecule CS(=O)(=O)[N@@]1CC[C@@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
2154 EN300-261986_3_1_1 molecule CS(=O)(=O)[N@]1CC[C@@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
2155 EDG-MED-90036822-22_2 molecule C[C@](CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C[NH3+])OCCO −10.1 ± 0.5
2156 EN300-1692359_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CC[C@@H]5CO)CO −10.1 ± 0.3
2157 EN300-53677_1_1_1 molecule CS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2158 EN300-101443_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(COC5)O −10.1 ± 0.2
2159 EN300-114805_3_1_1 molecule Cn1c(ccn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
2160 EN300-114805_3_1_1 molecule Cn1c(ccn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
2161 EN300-202922_3_1_1 molecule C[C@@H]([C@@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.1 ± 0.4
2162 EN300-6746890_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)(CO)F −10.1 ± 0.2
2163 EN300-72211_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C5CC5)O −10.1 ± 0.3
2164 EN300-65839_3_1_1 molecule CC[C@@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2165 EN300-1258964_3_2_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.1 ± 0.3
2166 EN300-262409_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)n6cnnn6 −10.1 ± 0.2
2167 EN300-1241327_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCOCC5 −10.1 ± 0.2
2168 EN300-1241327_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCOCC5 −10.1 ± 0.2
2169 EN300-17184_3_1_1 molecule C=CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2170 ED_-GRI-5b13fbe2-71_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@H]5[NH3+] −10.1 ± 0.3
2171 EN300-6473108_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6cccnn6n5 −10.1 ± 0.2
2172 ALP-UNI-dbbfd3db-13_2 molecule Cn1cc(cn1)C2=NO[C@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.3
2173 EN300-94945_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCNC5=O −10.0 ± 0.2
2174 EN300-39961_1_1_1 molecule CCN1CCN(C(=O)C1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
2175 EN300-158274_3_1_1 molecule CC(=O)N1C[C@H](C[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.4
2176 EN300-227055_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CC(=O)NC5=O −10.0 ± 0.2
2177 EN300-18561_3_1_1 molecule CC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
2178 EN300-25702_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)O −10.0 ± 0.2
2179 EN300-131093_4_1_1 molecule C[C@@H](C(=O)NCC(=O)C)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
2180 EN300-385132_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5[NH2+][NH2+][C@H](N5)C6CCOCC6 −10.0 ± 0.9
2181 MIC-UNK-cdc2493e-24_1 molecule c1ccc2c(c1)cncc2NC(=O)N(CCn3cncn3)c4cccc(c4)Cl −10.0 ± 0.3
2182 EDG-MED-90036822-108_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H](CC5CC5)O)F −10.0 ± 0.3
2183 EN300-250836_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5c[nH]nc5 −10.0 ± 0.2
2184 DAR-DIA-23e5a6a0-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6([NH2+]5)CC6)Cl −10.0 ± 0.3
2185 EN300-6494158_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@@H](CO5)CO −10.0 ± 0.3
2186 KAD-UNI-8a629cb0-38_2 molecule C[N@]1[C@@H](CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2187 VLA-UCB-34f3ed0c-5_1 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C(=O)CCc4ccn[nH]4 −10.0 ± 0.4
2188 EN300-5309123_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)Cn6cnnc6 −10.0 ± 0.3
2189 EN300-73772_2_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5[NH2+]NC(=O)N5 −10.0 ± 0.3
2190 EDJ-MED-d203f206-40_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O −10.0 ± 0.3
2191 EN300-46832_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@H]5CCOC5 −10.0 ± 0.3
2192 EN300-316216_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cncn5 −10.0 ± 0.2
2193 EN300-316216_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cncn5 −10.0 ± 0.2
2194 EN300-14458_3_1_1 molecule C[C@@H](C(=O)N(C)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2195 EN300-1693852_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)F)CO −10.0 ± 0.3
2196 EN300-302290_4_1_1 molecule CS(=O)(=O)N1CC(C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
2197 VLA-UCB-34f3ed0c-6_1 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C(=O)CC4CCCCC4 −10.0 ± 0.5
2198 EN300-2977549_1_1_1 molecule CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2199 EN300-2977549_1_1_1 molecule CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2200 EN300-2977549_1_1_1 molecule CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
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