Microstates

Showing 1101 through 1200 of 1789
Rank Microstate SMILES ΔG / kcal M-1
1101 EN300-6255179_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −8.1 ± 0.3
1102 DAR-DIA-0d514e7d-12_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5F)F −8.1 ± 0.2
1103 EN300-01527_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC[C@@H]5CCCO5 −8.1 ± 0.4
1104 MAK-UNK-8be7dca9-7_1 molecule c1cc2cncc(c2cc1C(=O)[O-])NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.14 ± 0.09
1105 EN300-24804_1_1 molecule COC(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1106 EN300-68794_1_1 molecule CS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1107 EN300-68794_1_1 molecule CS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1108 EN300-68794_1_1 molecule CS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1109 EN300-1212475_3_2 molecule CC1(CC(=O)NC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −8.1 ± 0.3
1110 EN300-266117_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](C5)O −8.1 ± 0.3
1111 EN300-211482_2_1 molecule C[C@@H](C(=O)NC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1112 EN300-211482_2_1 molecule C[C@@H](C(=O)NC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1113 EN300-12247_2_1 molecule CC(C)(C)C(=O)NCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.4
1114 EN300-1265948_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCS(=O)(=O)CC5 −8.1 ± 0.3
1115 EN300-103187_1_1 molecule CCOCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1116 JOH-SUS-a69c159d-2_1 molecule c1ccc2c(c1)c(cnc2F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.11 ± 0.07
1117 EN300-135130_2_1 molecule CNC(=O)[C@@H](CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1118 EDJ-MED-e4b030d8-7_1 molecule COc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −8.1 ± 0.1
1119 DAR-DIA-0d514e7d-17_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(cc(c5)F)F −8.1 ± 0.2
1120 DAR-DIA-0d514e7d-13_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5)F −8.1 ± 0.2
1121 EDJ-MED-e4b030d8-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl −8.1 ± 0.2
1122 EDJ-MED-e4b030d8-8_1 molecule Cc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl −8.10 ± 0.06
1123 EN300-760963_2_1 molecule CC(C)[C@@H](C(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3
1124 EN300-02015_2_1 molecule COCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.4
1125 EN300-1968342_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CF)O −8.1 ± 0.5
1126 EN300-1968342_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CF)O −8.1 ± 0.5
1127 EN300-185378_4_2 molecule C[C@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.1 ± 0.3
1128 EN300-263153_4_1 molecule Cn1cc(nn1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.1 ± 0.3
1129 EN300-99391_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@@H]5CCOC5 −8.1 ± 0.3
1130 EN300-47606_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@H]5CCS(=O)(=O)C5 −8.1 ± 0.4
1131 EN300-6501360_1_1 molecule CN(C)C(=O)NC[C@@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.1 ± 0.4
1132 EN300-7456499_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCCO −8.1 ± 0.6
1133 EN300-252961_2_4 molecule COC[C@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.1 ± 0.3
1134 EN300-6277108_2_2 molecule CO[C@H]([C@@H]1CCCO1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.1 ± 0.4
1135 EN300-315725_3_1 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C −8.1 ± 0.5
1136 EN300-109920_2_2 molecule C[C@H]1CO[C@@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −8.1 ± 0.4
1137 EN300-182725_2_1 molecule C[C@@H]([C@@H](C)S(=O)(=O)C)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.4
1138 EN300-02067_3_1 molecule C[C@@H](COC)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1139 EN300-633533_4_1 molecule CS(=O)(=O)[C@@H]1C[C@]1(COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −8.0 ± 0.3
1140 EN300-45485_4_1 molecule CS(=O)(=O)NCCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.4
1141 JAG-UCB-706446eb-7_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCCOC5 −8.0 ± 0.2
1142 EN300-28177_1_4 molecule C[C@H](C(=O)N1CCC[C@H](C1)C(=O)N)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.3
1143 EN300-31102_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCN(CC5)S(=O)(=O)N −8.0 ± 0.4
1144 EN300-103187_4_1 molecule CCOCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1145 EN300-22880_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC[C@H](C5)C(=O)N −8.0 ± 0.4
1146 ADA-UCB-dc2b944c-11_1 molecule c1ccc2c(c1)c(cnc2Br)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.0 ± 0.1
1147 EN300-1073068_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC(=O)NC5 −8.0 ± 0.3
1148 DAR-DIA-23e5a6a0-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6([NH2+]5)CC6)Cl −8.0 ± 0.3
1149 EN300-1723663_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCN(C(=O)C5)CCO −8.0 ± 0.4
1150 EN300-28177_1_2 molecule C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.4
1151 EN300-173006_4_2 molecule C[C@H](c1nnnn1C)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.5
1152 EN300-221518_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.0 ± 0.4
1153 EN300-221518_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.0 ± 0.4
1154 EN300-221518_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.0 ± 0.4
1155 EN300-7355477_1_7 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 −8.0 ± 0.5
1156 EN300-305294_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@H]([C@@H]6C5)O −8.0 ± 0.3
1157 EN300-174603_2_1 molecule CN(C(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −8.0 ± 0.3
1158 EN300-172782_2_2 molecule C[C@H]1C(=O)NCCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.3
1159 EN300-17381_4_1 molecule C[C@@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1160 EN300-17381_4_1 molecule C[C@@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1161 EN300-17381_4_1 molecule C[C@@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1162 MAT-POS-8a69d52e-7_1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −7.97 ± 0.08
1163 VLA-UCB-05e51b3f-12_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl)CCC6CCCCC6 −8.0 ± 0.4
1164 EN300-266552_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)c6[nH]ncn6 −8.0 ± 0.3
1165 EN300-861925_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H](CO)F −8.0 ± 0.4
1166 DAR-DIA-23e5a6a0-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@@H]5CC6(CC6)C[NH2+]5)Cl −8.0 ± 0.3
1167 EN300-299806_1_1 molecule CO[C@@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −8.0 ± 0.4
1168 EN300-1238839_2_1 molecule CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1169 EN300-1238839_2_1 molecule CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1170 EN300-1238839_2_1 molecule CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1171 JAG-UCB-706446eb-6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn[nH]5 −8.0 ± 0.2
1172 EN300-73662_2_1 molecule COC(=O)C[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.0 ± 0.3
1173 EN300-202922_1_1 molecule C[C@@H]([C@@](C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −8.0 ± 0.3
1174 EN300-321161_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC[NH+]5CCOCC5 −8.0 ± 0.5
1175 EN300-321161_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC[NH+]5CCOCC5 −8.0 ± 0.5
1176 EN300-08063_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC(CC5)C(=O)N −8.0 ± 0.5
1177 EN300-258435_1_2 molecule C[C@]1(CCC(=O)NC1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.4
1178 EN300-116092_1_1 molecule CCS(=O)(=O)NCCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.3
1179 EN300-7463171_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCO −8.0 ± 0.5
1180 EN300-219020_2_1 molecule Cn1ncc(n1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
1181 EN300-219020_2_1 molecule Cn1ncc(n1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
1182 MAT-POS-8a69d52e-2_1 molecule C[C@@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −7.95 ± 0.09
1183 EN300-19342_2_1 molecule CN(CCO)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1184 EN300-1911992_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]([C@H]5CCOC5)O −7.9 ± 0.3
1185 EN300-176877_2_1 molecule CN(C)C(=O)CCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1186 EN300-105829_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@]5(CCOC5)CCO −7.9 ± 0.3
1187 MAK-UNK-8be7dca9-4_2 molecule c1cc2cncc(c2cc1N3CC[NH2+]CC3)NC(=O)[C@H]4CCOc5c4cc(cc5)Cl −7.9 ± 0.2
1188 EN300-120920_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCC(=O)NC5=O −7.9 ± 0.3
1189 EN300-307198_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(COC5)CO −7.9 ± 0.4
1190 DAR-DIA-6a508060-9_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −7.9 ± 0.4
1191 EN300-68875_2_1 molecule CNS(=O)(=O)CCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1192 EN300-114643_3_2 molecule C[NH+](C)[C@H](C1CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.7
1193 EN300-70092_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H](C5)C(=O)N −7.9 ± 0.4
1194 EN300-1988306_1_1 molecule CS(=O)(=O)CCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
1195 EN300-378316_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nnc6n5cc[nH]c6=O −7.9 ± 0.4
1196 EN300-1700143_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)c6ncon6 −7.9 ± 0.3
1197 EN300-28177_2_4 molecule C[C@H](C(=O)N1CCC[C@H](C1)C(=O)N)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.4
1198 EN300-39504_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCS(=O)(=O)N −7.9 ± 0.5
1199 EN300-120920_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCC(=O)NC5=O −7.9 ± 0.4
1200 EN300-62448_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)C5CCC5 −7.9 ± 0.4
Last updated 2021-02-02T10:18:08.528839+00:00
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