Microstates

Showing 4101 through 4200 of 6099
Rank Microstate SMILES ΔG / kcal M-1
4101 EN300-1717166_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC56CC(C6)O −5.9 ± 0.2
4102 EN300-6474355_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CC(C5)C(F)F)C(=O)N −5.9 ± 0.3
4103 EN300-58433_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccnc(c5)n6cncn6 −5.9 ± 0.3
4104 EN300-126408_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCCN5CCS(=O)(=O)CC5 −5.9 ± 0.4
4105 EN300-310888_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5nnc6n5CCOCC6 −5.9 ± 0.3
4106 EN300-365747_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)C(=O)N6CCOCC6 −5.9 ± 0.3
4107 MAK-UNK-8be7dca9-8_1 molecule c1cc2cncc(c2cc1CC(=O)[O-])NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −5.9 ± 0.1
4108 EN300-7355519_4_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 −5.9 ± 0.3
4109 EN300-80522_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)COC[C@H]5CCOC5 −5.9 ± 0.3
4110 EN300-305294_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6C[C@@H]([C@@H]6C5)O −5.9 ± 0.3
4111 EN300-366857_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccn6c5ncn6 −5.9 ± 0.3
4112 EN300-1228556_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)Cn6ccnn6 −5.9 ± 0.3
4113 EN300-217107_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC[C@H]5C(=O)N −5.9 ± 0.2
4114 EN300-1452069_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](CC5CCOCC5)O −5.9 ± 0.4
4115 EN300-109535_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5CC(=O)OC5 −5.9 ± 0.3
4116 EN300-6478054_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@@H](C5)CO −5.9 ± 0.4
4117 EN300-7431620_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CC6(CC6)S(=O)(=O)N5 −5.9 ± 0.3
4118 EN300-113234_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC(=O)OC5 −5.9 ± 0.2
4119 EN300-210553_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@](C5)(C(=O)N)O −5.9 ± 0.4
4120 EN300-210553_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@](C5)(C(=O)N)O −5.9 ± 0.4
4121 EN300-1600887_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[C@@H]5COCCO5 −5.9 ± 0.3
4122 EN300-2010167_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccc6n5nnc6 −5.9 ± 0.2
4123 EN300-36622_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5ccccc5=O −5.9 ± 0.3
4124 EN300-225012_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6nccn6ccn5 −5.9 ± 0.3
4125 EN300-225012_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6nccn6ccn5 −5.9 ± 0.3
4126 DAR-DIA-0d514e7d-21_1 molecule C[C@H]1COc2c(cc(cc2N3CC[NH2+]CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −5.9 ± 0.2
4127 EN300-1072972_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5CCOC5=O −5.9 ± 0.3
4128 EN300-6504535_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5C[C@@H](CO5)CO −5.9 ± 0.3
4129 EN300-210089_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5[C@@H]6[C@@H]5COC6 −5.9 ± 0.2
4130 EN300-6746727_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6c([nH]c(=O)[nH]c6=O)C5 −5.9 ± 0.3
4131 EN300-196614_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCc5[nH]ncn5 −5.9 ± 0.2
4132 EN300-309457_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5C[NH+](C5)[C@H]6CCOC6 −5.9 ± 0.4
4133 EN300-1110375_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5cnn(c5)[C@H]6CCNC6=O −5.9 ± 0.2
4134 EN300-6735421_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5(C[NH+](C5)C6CC6)CO −5.9 ± 0.3
4135 EN300-62166_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCC[C@@H]5CNC(=O)N −5.9 ± 0.3
4136 EN300-6474355_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CC(C5)C(F)F)C(=O)N −5.9 ± 0.3
4137 EN300-321053_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCOC[C@H]5O −5.9 ± 0.4
4138 EN300-53918_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCN5CCOC5=O −5.9 ± 0.4
4139 EN300-1726277_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](n5cccn5)F −5.9 ± 0.2
4140 EN300-58864_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)C(=O)N −5.9 ± 0.2
4141 EN300-6729573_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCN5CCNC5=O −5.9 ± 0.3
4142 EN300-96544_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5[nH]c(=O)[nH]n5 −5.9 ± 0.3
4143 EN300-62449_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCNC(=O)C5CCC5 −5.9 ± 0.3
4144 EN300-135393_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)NC(=O)NC6CC6 −5.9 ± 0.3
4145 EN300-259849_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCCC[C@H](C5=O)O −5.9 ± 0.3
4146 MAK-UNK-8be7dca9-10_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[C@H](Oc4c3cc(cc4)Cl)C(=O)[O-] −5.9 ± 0.1
4147 EN300-39506_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(=O)N[C@@H]5CCS(=O)(=O)C5 −5.9 ± 0.5
4148 EN300-183736_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@]5(CCOC5)CCO −5.9 ± 0.3
4149 EN300-7353672_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]([C@@H](CC5)O)CO −5.9 ± 0.3
4150 EN300-1609922_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@](C5)(c6ccn[nH]6)O −5.9 ± 0.4
4151 EN300-1440321_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)S(=O)(=O)N −5.9 ± 0.3
4152 EN300-159881_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@H+]5CCCOCC5 −5.9 ± 0.3
4153 EN300-6526669_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnn6c5C(=O)NCC6 −5.9 ± 0.3
4154 EN300-57126_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](CN5CCCC5=O)O −5.9 ± 0.5
4155 EN300-6760278_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5C[C@H]6[C@@H](O5)CCO6 −5.9 ± 0.3
4156 EN300-141809_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC56CCS(=O)(=O)CC6 −5.9 ± 0.4
4157 EN300-22245_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccon5 −5.9 ± 0.2
4158 EN300-246178_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn(c5)C[C@H](CO)O −5.9 ± 0.3
4159 EN300-341337_4_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]56CCO[C@H]5CCOC6 −5.9 ± 0.3
4160 EN300-54837_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CN5C(=O)CCCC5=O −5.9 ± 0.2
4161 EN300-115421_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)c5c(cccn5)O −5.9 ± 0.3
4162 EN300-77438_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCN(C5=O)C6CC6 −5.9 ± 0.3
4163 EN300-77438_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCN(C5=O)C6CC6 −5.9 ± 0.3
4164 EN300-6736649_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@@H](CO5)CC(=O)N −5.9 ± 0.3
4165 EN300-103284_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CCC5)CC(=O)N −5.9 ± 0.2
4166 EN300-261859_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c(=O)[nH]sn5 −5.9 ± 0.2
4167 EN300-6482296_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CO[C@@H]6[C@@H]5COC6 −5.9 ± 0.2
4168 EN300-101637_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5nnco5 −5.9 ± 0.2
4169 EN300-264685_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[NH+]6CCOCC6 −5.9 ± 0.3
4170 EN300-1248250_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5CN(C5)C(=O)N −5.9 ± 0.3
4171 EN300-68350_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CCOCC5)CO −5.9 ± 0.3
4172 EN300-13499_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCCNC(=O)N −5.9 ± 0.3
4173 EN300-6759972_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](CC5)NC(=O)N −5.9 ± 0.3
4174 EN300-150212_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cc([nH]n5)F −5.9 ± 0.2
4175 EN300-220676_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5CCCS(=O)(=O)C5 −5.9 ± 0.3
4176 EN300-1212491_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@H]5CCS(=O)(=O)C5 −5.9 ± 0.3
4177 EN300-127612_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)c5ccn[nH]5 −5.9 ± 0.3
4178 EN300-171605_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC5CS(=O)(=O)C5 −5.9 ± 0.3
4179 EN300-195072_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CN(CCO5)C(=O)N −5.9 ± 0.3
4180 EN300-12440_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC(=O)N(C5)C6CC6 −5.9 ± 0.2
4181 EN300-393121_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c(=O)[nH]ccn6n5 −5.9 ± 0.2
4182 EN300-3710141_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCCO5)C#N −5.9 ± 0.3
4183 VLA-UCB-05e51b3f-11_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl −5.9 ± 0.3
4184 EN300-68618_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cocn5 −5.9 ± 0.3
4185 EN300-6734276_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]6[C@@]5(COC6=O)CO −5.9 ± 0.3
4186 EN300-59386_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(s5)S(=O)(=O)N −5.9 ± 0.3
4187 EN300-6480251_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CN(C5)C(=O)C6CC6 −5.9 ± 0.3
4188 EN300-220228_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6cc[nH]n6c5=O −5.9 ± 0.3
4189 EN300-233678_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]([C@@H](C5)CO)O −5.9 ± 0.4
4190 EN300-11714_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccccc5=O −5.8 ± 0.3
4191 EN300-1664105_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)n6cc(nn6)CO −5.8 ± 0.3
4192 EN300-247026_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCN5CCOCC5=O −5.8 ± 0.3
4193 EN300-254272_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cc(=O)cc[nH]5 −5.8 ± 0.3
4194 EN300-109119_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5cc([nH]n5)C(=O)N −5.8 ± 0.2
4195 EN300-07127_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5C(=O)N −5.8 ± 0.3
4196 EN300-07127_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5C(=O)N −5.8 ± 0.3
4197 EN300-1087098_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCC(C(=O)N5)(F)F −5.8 ± 0.3
4198 EN300-315792_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)COCC(F)F −5.8 ± 0.2
4199 EN300-260405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@@H+]6CC[C@@H](C6)O −5.8 ± 0.3
4200 EN300-1072972_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5CCOC5=O −5.8 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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