Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
2101 |
EN300-304771_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCN(C5=O)C6CC6 |
−10.7
± 0.4
|
2102 |
EN300-217526_3_1 |
|
CCn1c(c(nn1)C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.4
|
2103 |
EN300-175485_1_1 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cncnc5 |
−10.7
± 0.3
|
2105 |
EN300-185751_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cncnc5 |
−10.7
± 0.3
|
2106 |
EN300-7396882_2_1 |
|
CC1(CC(C1)O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2107 |
EN300-101197_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5[nH]cnn5 |
−10.7
± 0.3
|
2108 |
EN300-36938_2_1 |
|
Cc1cc(no1)NC(=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2109 |
EN300-51028_1_1 |
|
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 |
|
C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2111 |
EN300-17381_4_2 |
|
C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2112 |
EN300-17381_4_2 |
|
C[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2113 |
EN300-380820_1_1 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCOC5)O |
−10.7
± 0.3
|
2115 |
EN300-91315_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)Cc6ccccn6 |
−10.7
± 0.3
|
2116 |
EN300-1911992_3_4 |
|
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 |
|
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 |
|
CCCCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.6
|
2119 |
EN300-399606_1_2 |
|
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 |
|
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 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 |
−10.7
± 0.2
|
2123 |
EN300-6255179_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 |
−10.7
± 0.2
|
2124 |
EN300-1425677_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCO5)CO |
−10.7
± 0.3
|
2125 |
EN300-47500_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCn5cccn5 |
−10.7
± 0.3
|
2126 |
EN300-226964_1_1 |
|
Cc1ccn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2127 |
EN300-97300_1_3 |
|
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 |
|
COCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2129 |
EN300-2007620_2_1 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C6CCCC5C(=O)NC6 |
−10.7
± 0.3
|
2131 |
EN300-198540_4_2 |
|
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 |
|
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 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccc6n5nnc6 |
−10.7
± 0.3
|
2135 |
EN300-124052_1_4 |
|
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 |
|
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 |
|
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 |
|
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 |
|
Cc1cc(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2140 |
EN300-158082_1_1 |
|
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 |
|
COCC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)COC |
−10.7
± 0.4
|
2142 |
EN300-158260_1_1 |
|
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 |
|
Cc1c(nn[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
2144 |
EN300-306047_1_1 |
|
Cn1cc(nn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2145 |
EN300-210084_1_2 |
|
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 |
|
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 |
|
CN(C)C(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2148 |
EN300-6505003_3_2 |
|
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 |
|
C[C@@]1(COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO |
−10.7
± 0.3
|
2150 |
EN300-637424_1_1 |
|
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 |
|
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 |
|
Cc1cc(cc(=O)n1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2153 |
EN300-25960_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCC5)O |
−10.7
± 0.3
|
2154 |
EN300-6494158_1_3 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5ccnn5 |
−10.7
± 0.4
|
2156 |
EN300-127197_4_1 |
|
COc1cc(on1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2157 |
EN300-300217_3_4 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6ncnn6C5 |
−10.7
± 0.2
|
2159 |
EN300-218116_3_1 |
|
CC(CO)(CO)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.4
|
2160 |
EN300-215799_1_1 |
|
Cc1c(c(no1)CO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2161 |
EN300-77464_4_1 |
|
C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−10.7
± 0.3
|
2162 |
EN300-321790_1_1 |
|
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 |
|
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
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5cc[nH]n5 |
−10.7
± 0.3
|
2165 |
EN300-96797_1_2 |
|
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 |
|
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 |
|
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 |
|
COC[C@H]1COCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2169 |
EN300-249804_4_1 |
|
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 |
|
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 |
|
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 |
|
Cn1ncc(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
2173 |
EN300-219020_1_1 |
|
Cn1ncc(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
2174 |
EN300-74448_1_1 |
|
CCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2175 |
EN300-74448_1_1 |
|
CCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2176 |
EN300-82179_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC(=O)N |
−10.7
± 0.3
|
2177 |
EN300-12929_3_1 |
|
Cc1cc(no1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2178 |
EN300-98648_3_1 |
|
CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2179 |
EN300-98648_3_1 |
|
CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2180 |
EN300-255496_3_1 |
|
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 |
|
COC[C@@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−10.7
± 0.4
|
2182 |
EN300-155823_1_1 |
|
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 |
|
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 |
|
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 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC(=O)NC5 |
−10.7
± 0.2
|
2187 |
EN300-16248_1_1 |
|
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 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCO5 |
−10.7
± 0.3
|
2190 |
DAR-DIA-6a508060-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC(=O)N5)Cl |
−10.7
± 0.2
|
2191 |
EN300-1696043_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)C6COC6 |
−10.7
± 0.2
|
2192 |
EN300-18561_3_1 |
|
CC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
2193 |
EN300-51886_1_1 |
|
CN1CCC(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.5
|
2194 |
EN300-7434334_1_1 |
|
Cn1cnc2c1ncnc2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−10.7
± 0.3
|
2195 |
EN300-120569_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)CCCC#N |
−10.7
± 0.3
|
2196 |
EN300-1301381_3_2 |
|
COC[C@]1(CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
2197 |
EN300-101197_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCc5[nH]cnn5 |
−10.7
± 0.3
|
2198 |
EN300-7493255_1_1 |
|
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 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6nccn6c5 |
−10.7
± 0.3
|
2200 |
EN300-256075_1_1 |
|
CN(C)CCn1c(ccn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|