Microstates

Showing 5101 through 5200 of 6099
Rank Microstate SMILES ΔG / kcal M-1
5101 EN300-98802_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H](C5)OCC(=O)N −5.0 ± 0.3
5102 EN300-364890_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5C(=O)N −5.0 ± 0.3
5103 EN300-367292_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H]5CCC[N@@H+]6CCO −5.0 ± 0.4
5104 EN300-1588907_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5[C@H]6CCO[C@H]6C[C@H]5CO −5.0 ± 0.3
5105 EN300-6482296_4_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CO[C@@H]6[C@H]5COC6 −5.0 ± 0.3
5106 EN300-6733595_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC56CC(C5)(CO6)C(=O)N −5.0 ± 0.3
5107 EN300-69144_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(=O)N5CCCC5 −5.0 ± 0.3
5108 EN300-69144_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(=O)N5CCCC5 −5.0 ± 0.3
5109 EN300-77778_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCCS(=O)(=O)C5 −5.0 ± 0.3
5110 EN300-41375_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[NH+]5CCCC5 −5.0 ± 0.3
5111 EN300-134536_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5ccnn5CCO −5.0 ± 0.2
5112 EN300-1268016_2_13 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5C[C@@H]6[C@@H]5C[C@@H](C6)C(=O)N −5.0 ± 0.3
5113 EN300-43206_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[N@]5CCCS5(=O)=O −5.0 ± 0.4
5114 EN300-99064_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC(=O)N(C5)c6c[nH]nc6 −5.0 ± 0.2
5115 EN300-154191_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CCO)C5CCOCC5 −5.0 ± 0.4
5116 EN300-6759972_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](CC5)NC(=O)N −5.0 ± 0.3
5117 EN300-1215738_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC[C@H]5CCC(=O)NC5 −5.0 ± 0.3
5118 EN300-378760_1_1 molecule CS(=O)(=O)[C@H]1C[C@@H](C1)NC(=O)C[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5 −5.0 ± 0.3
5119 EN300-10729_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCNC(=O)N −5.0 ± 0.3
5120 EN300-244100_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5Cc6cncn6C5 −5.0 ± 0.3
5121 EN300-22410_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)C5CC5 −5.0 ± 0.3
5122 EN300-22410_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)C5CC5 −5.0 ± 0.3
5123 EN300-373552_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cncc(n5)F −5.0 ± 0.3
5124 EN300-10729_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCNC(=O)N −5.0 ± 0.3
5125 EN300-142432_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)NC(=O)C6CC6 −5.0 ± 0.3
5126 EN300-6499531_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCCCS5(=O)=O −5.0 ± 0.3
5127 EN300-223284_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5c[nH][nH]c5=O −5.0 ± 0.2
5128 EN300-2965876_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[N@H+]5CC[C@H](C5)CO −5.0 ± 0.3
5129 EN300-51459_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](C(F)(F)F)O −5.0 ± 0.4
5130 EN300-233407_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCCC[N@@H+]5CCO −5.0 ± 0.6
5131 EN300-16216_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)N −5.0 ± 0.2
5132 EN300-195855_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)n6cncn6 −5.0 ± 0.2
5133 EN300-195855_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)n6cncn6 −5.0 ± 0.2
5134 EN300-6479181_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC[C@@H]6N5C(=O)CC6 −5.0 ± 0.3
5135 EN300-90142_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCC[C@H](C5)C(=O)N −5.0 ± 0.2
5136 EN300-1709213_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@@H](C5)c6[nH]ncn6 −5.0 ± 0.3
5137 EN300-69049_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCC[C@@H]6O −5.0 ± 0.3
5138 EN300-7385329_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5Cc6[nH+]ccn6C5 −5.0 ± 0.3
5139 EN300-263408_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@@]5(CCOC5)O −5.0 ± 0.3
5140 EN300-307190_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c[nH+]c6n5CCOC6 −5.0 ± 0.3
5141 EN300-748981_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCn6c5nnc6 −5.0 ± 0.2
5142 EN300-226921_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCC[N@H+]5CCCO −5.0 ± 0.3
5143 EN300-253365_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCC(=O)Nc5[nH]ccn5 −5.0 ± 0.3
5144 EN300-378836_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[N@]5CCCCS5(=O)=O −5.0 ± 0.4
5145 EN300-122656_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCSC5)O −5.0 ± 0.4
5146 EN300-18928_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CSCN5C(=O)C6CC6 −5.0 ± 0.4
5147 EN300-313440_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5C[NH+](C5)C6CCOCC6 −5.0 ± 0.3
5148 EN300-114312_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[NH+]5CCC5 −5.0 ± 0.3
5149 EN300-1706036_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5C(=O)NCCO5 −5.0 ± 0.3
5150 EN300-233951_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H](C5)O −5.0 ± 0.4
5151 EN300-233951_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H](C5)O −5.0 ± 0.4
5152 EN300-66126_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCCO −5.0 ± 0.2
5153 EN300-77885_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)C5CC5 −5.0 ± 0.3
5154 EN300-731622_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5COCCO5 −5.0 ± 0.2
5155 EN300-262604_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5cnc(n5)C(=O)N −5.0 ± 0.3
5156 EN300-68735_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)[NH+]6CCOCC6 −5.0 ± 0.3
5157 EN300-68735_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)[NH+]6CCOCC6 −5.0 ± 0.3
5158 EN300-87536_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCN5C(=O)N −5.0 ± 0.2
5159 EN300-332714_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CO)[C@H](c5ccccn5)O −5.0 ± 0.4
5160 EN300-1696043_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cn(nn5)C6COC6 −4.9 ± 0.3
5161 EN300-35781_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6ccccn6c5=O −4.9 ± 0.4
5162 EN300-6480951_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)[C@H]6CC(=O)NC6 −4.9 ± 0.4
5163 EN300-154942_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5OCCO5 −4.9 ± 0.2
5164 EN300-1428805_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5Cc6cncn6C(=O)N5 −4.9 ± 0.3
5165 EN300-233786_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CCS(=O)(=O)C5)O −4.9 ± 0.3
5166 EN300-36158_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5COCCO5 −4.9 ± 0.2
5167 EN300-7427198_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC[N@@H+](C5)C6COC6 −4.9 ± 0.3
5168 EN300-6491316_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccc6cnnn6c5 −4.9 ± 0.3
5169 EN300-195743_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CCO)CO −4.9 ± 0.3
5170 EN300-261210_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@]5(CCOC5)C#N −4.9 ± 0.3
5171 EN300-114134_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC[N@@]5CCCS5(=O)=O −4.9 ± 0.4
5172 EN300-1268016_2_15 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@@H](C6)C(=O)N −4.9 ± 0.3
5173 EN300-304771_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCN(C5=O)C6CC6 −4.9 ± 0.3
5174 EN300-6478948_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@@H]5CCC(=O)NC5 −4.9 ± 0.3
5175 EN300-1425963_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CC[C@H]5[NH+]6CCOCC6 −4.9 ± 0.3
5176 EDJ-MED-e4b030d8-1_1 molecule C[C@]1(c2cc(ccc2OCC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −4.9 ± 0.2
5177 EN300-263456_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(=O)n(n5)CCF −4.9 ± 0.3
5178 EN300-7492698_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cn6c([nH+]5)COCC6 −4.9 ± 0.4
5179 EN300-264685_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)[NH+]6CCOCC6 −4.9 ± 0.4
5180 EN300-36158_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5COCCO5 −4.9 ± 0.2
5181 EN300-111159_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(cc(=O)[nH]n5)[O-] −4.9 ± 0.2
5182 EN300-84783_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[NH+]5CC=CC5 −4.9 ± 0.3
5183 EN300-257536_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cc(=O)[nH]c(=O)[nH]5 −4.9 ± 0.2
5184 EN300-79022_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cccnn5 −4.9 ± 0.2
5185 EN300-131690_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@H](C5)c6ncon6 −4.9 ± 0.3
5186 EN300-7434791_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](CO)O −4.9 ± 0.3
5187 EN300-11441_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cc(=O)[nH]c(=O)[nH]5 −4.9 ± 0.2
5188 EN300-366468_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCNC(=O)C5 −4.9 ± 0.2
5189 EN300-305984_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cccn6c5nnn6 −4.9 ± 0.4
5190 EN300-217107_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC[C@@H]5C(=O)N −4.9 ± 0.2
5191 EN300-109119_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5cc([nH]n5)C(=O)N −4.9 ± 0.2
5192 EN300-113218_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CS[C@H]5CCOC5=O −4.9 ± 0.3
5193 EN300-126389_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5COC(=O)N5 −4.9 ± 0.2
5194 JOH-SUS-a69c159d-3_1 molecule c1ccc2c(c1)c(cnc2C(F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −4.9 ± 0.1
5195 EN300-378836_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[N@@]5CCCCS5(=O)=O −4.9 ± 0.3
5196 EN300-39033_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)c5ccncc5 −4.9 ± 0.3
5197 EN300-184266_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC(=O)N5 −4.9 ± 0.2
5198 EN300-31553_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCS(=O)(=O)N −4.9 ± 0.5
5199 EN300-207543_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](C[NH+]5CCCCC5)CO −4.9 ± 0.4
5200 EN300-7442191_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(C[NH+]6CCC5CC6)O −4.9 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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