Microstates

Showing 2101 through 2200 of 11295
Rank Microstate SMILES ΔG / kcal M-1
2101 EN300-304771_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCN(C5=O)C6CC6 −10.7 ± 0.4
2102 EN300-217526_3_1 molecule CCn1c(c(nn1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.4
2103 EN300-175485_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)CO −10.7 ± 0.3
2104 EN300-185751_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cncnc5 −10.7 ± 0.3
2105 EN300-185751_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cncnc5 −10.7 ± 0.3
2106 EN300-7396882_2_1 molecule CC1(CC(C1)O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2107 EN300-101197_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5[nH]cnn5 −10.7 ± 0.3
2108 EN300-36938_2_1 molecule Cc1cc(no1)NC(=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2109 EN300-51028_1_1 molecule CC(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.2
2110 EN300-17381_4_2 molecule C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2111 EN300-17381_4_2 molecule C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2112 EN300-17381_4_2 molecule C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2113 EN300-380820_1_1 molecule Cc1cn2c(c(nn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)c(=O)[nH]1 −10.7 ± 0.2
2114 EN300-148421_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCOC5)O −10.7 ± 0.3
2115 EN300-91315_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)Cc6ccccn6 −10.7 ± 0.3
2116 EN300-1911992_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]([C@H]5CCOC5)O −10.7 ± 0.4
2117 EN300-1717166_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC56CC(C6)O −10.7 ± 0.3
2118 EN300-686903_3_1 molecule CCCCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.6
2119 EN300-399606_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCC[C@H]6O −10.7 ± 0.3
2120 EN300-00271_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −10.7 ± 0.3
2121 EN300-27341_3_1 molecule CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.5
2122 EN300-6255179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 −10.7 ± 0.2
2123 EN300-6255179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 −10.7 ± 0.2
2124 EN300-1425677_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCO5)CO −10.7 ± 0.3
2125 EN300-47500_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCn5cccn5 −10.7 ± 0.3
2126 EN300-226964_1_1 molecule Cc1ccn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2127 EN300-97300_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5F −10.7 ± 0.2
2128 EN300-64536_4_1 molecule COCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2129 EN300-2007620_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](OCC5)CO −10.7 ± 0.3
2130 EN300-6740329_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C6CCCC5C(=O)NC6 −10.7 ± 0.3
2131 EN300-198540_4_2 molecule Cn1cc(cn1)[C@H](C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.7 ± 0.4
2132 EN300-7470991_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C[C@H]5CO)CO −10.7 ± 0.4
2133 EN300-650518_1_1 molecule CO[C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
2134 EN300-2010167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccc6n5nnc6 −10.7 ± 0.3
2135 EN300-124052_1_4 molecule C[C@H]1CN(C[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2136 EN300-261986_1_1 molecule CS(=O)(=O)N1CC[C@@H](C1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2137 EN300-261986_1_1 molecule CS(=O)(=O)N1CC[C@@H](C1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2138 EN300-144606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5S(=O)(=O)N −10.7 ± 0.3
2139 EN300-41425_1_1 molecule Cc1cc(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2140 EN300-158082_1_1 molecule CC1(CN(C[C@@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.7 ± 0.5
2141 EN300-7102031_1_1 molecule COCC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)COC −10.7 ± 0.4
2142 EN300-158260_1_1 molecule CC(=O)N1C[C@@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.7 ± 0.3
2143 EN300-83691_2_1 molecule Cc1c(nn[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
2144 EN300-306047_1_1 molecule Cn1cc(nn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2145 EN300-210084_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCC(=O)N5 −10.7 ± 0.3
2146 EN300-4698402_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5F −10.7 ± 0.2
2147 EN300-176877_1_1 molecule CN(C)C(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2148 EN300-6505003_3_2 molecule C[C@H]1CC[C@@H](C(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2149 EN300-127629_1_1 molecule C[C@@]1(COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.7 ± 0.3
2150 EN300-637424_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6COC[C@H]6O −10.7 ± 0.3
2151 EN300-7355519_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 −10.7 ± 0.3
2152 EN300-4287199_1_1 molecule Cc1cc(cc(=O)n1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2153 EN300-25960_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCC5)O −10.7 ± 0.3
2154 EN300-6494158_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@H](CO5)CO −10.7 ± 0.3
2155 EN300-124301_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5ccnn5 −10.7 ± 0.4
2156 EN300-127197_4_1 molecule COc1cc(on1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2157 EN300-300217_3_4 molecule C/C=C/[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.7 ± 0.3
2158 EN300-1662365_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6ncnn6C5 −10.7 ± 0.2
2159 EN300-218116_3_1 molecule CC(CO)(CO)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.4
2160 EN300-215799_1_1 molecule Cc1c(c(no1)CO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2161 EN300-77464_4_1 molecule C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.7 ± 0.3
2162 EN300-321790_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5CO6 −10.7 ± 0.3
2163 EN300-785910_2_1 molecule COCc1c(nn[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
2164 VLA-UCB-34f3ed0c-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5cc[nH]n5 −10.7 ± 0.3
2165 EN300-96797_1_2 molecule C[C@H]1CN(CC(=O)N1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
2166 EN300-395654_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C6(C5)COC6)CO −10.7 ± 0.3
2167 EN300-16091_3_2 molecule CCS(=O)(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.5
2168 EN300-325729_1_2 molecule COC[C@H]1COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2169 EN300-249804_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCOC(=O)N5 −10.7 ± 0.4
2170 EN300-341337_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCO[C@@H]5CCOC6 −10.7 ± 0.3
2171 EN300-110423_3_1 molecule Cc1c(c(=O)[nH]o1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2172 EN300-219020_1_1 molecule Cn1ncc(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
2173 EN300-219020_1_1 molecule Cn1ncc(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.2
2174 EN300-74448_1_1 molecule CCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2175 EN300-74448_1_1 molecule CCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2176 EN300-82179_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC(=O)N −10.7 ± 0.3
2177 EN300-12929_3_1 molecule Cc1cc(no1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2178 EN300-98648_3_1 molecule CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2179 EN300-98648_3_1 molecule CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2180 EN300-255496_3_1 molecule CN1CC[C@@H](S1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.4
2181 EN300-1915260_3_1 molecule COC[C@@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.7 ± 0.4
2182 EN300-155823_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(CC#N)O −10.7 ± 0.3
2183 EN300-2958082_3_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.7 ± 0.4
2184 EN300-1448603_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCS(=O)(=O)C5 −10.7 ± 0.3
2185 EN300-1448603_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCS(=O)(=O)C5 −10.7 ± 0.3
2186 EN300-246747_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC(=O)NC5 −10.7 ± 0.2
2187 EN300-16248_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cc5)S(=O)(=O)N −10.7 ± 0.3
2188 EN300-177118_1_2 molecule C[C@]1(CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2189 EN300-116234_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCO5 −10.7 ± 0.3
2190 DAR-DIA-6a508060-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC(=O)N5)Cl −10.7 ± 0.2
2191 EN300-1696043_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C6COC6 −10.7 ± 0.2
2192 EN300-18561_3_1 molecule CC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.7 ± 0.3
2193 EN300-51886_1_1 molecule CN1CCC(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.5
2194 EN300-7434334_1_1 molecule Cn1cnc2c1ncnc2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.7 ± 0.3
2195 EN300-120569_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)CCCC#N −10.7 ± 0.3
2196 EN300-1301381_3_2 molecule COC[C@]1(CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
2197 EN300-101197_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCc5[nH]cnn5 −10.7 ± 0.3
2198 EN300-7493255_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](OCC56CC6)CO −10.7 ± 0.3
2199 EN300-147397_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6nccn6c5 −10.7 ± 0.3
2200 EN300-256075_1_1 molecule CN(C)CCn1c(ccn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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