Microstates

Showing 4201 through 4300 of 7698
Rank Microstate SMILES ΔG / kcal M-1
4201 EN300-315963_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnoc5 −9.0 ± 0.3
4202 RAL-THA-05e671eb-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −9.00 ± 0.05
4203 EN300-30859_2_1_1 molecule Cn1cnnc1CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3
4204 ALF-EVA-0b412456-2_1 molecule COc1ccc2cncc(c2c1)NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 −9.0 ± 0.4
4205 EN300-66432_1_1_1 molecule CN(C)S(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.4
4206 EN300-98429_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cn[nH]n5 −9.0 ± 0.4
4207 EN300-98429_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cn[nH]n5 −9.0 ± 0.4
4208 EN300-322332_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(nc5)C(=O)N −9.0 ± 0.3
4209 EN300-6766477_2_1_1 molecule CCN(CCC(=O)N)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.3
4210 EN300-98038_2_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5[NH2+]NC(=O)N5 −9.0 ± 0.3
4211 EDG-MED-ba1ac7b9-24_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(F)(F)F)C5COC5 −9.0 ± 0.3
4212 EN300-1915260_2_2_1 molecule COC[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.0 ± 0.3
4213 EN300-300217_4_2_1 molecule C/C=C/[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.0 ± 0.4
4214 EN300-124052_1_4_1 molecule C[C@H]1CN(C[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3
4215 EN300-11300_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(=O)[nH]c(=O)[nH]5 −9.0 ± 0.3
4216 EN300-6482296_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@H]6[C@@H]5COC6 −9.0 ± 0.3
4217 EN300-36938_1_1_1 molecule Cc1cc(no1)NC(=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.2
4218 EN300-214038_1_2_1 molecule C[C@H](CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.0 ± 0.4
4219 EN300-86282_1_1_1 molecule C[C@@H](CO)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.2
4220 EN300-104493_2_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@H]5CCOC5 −9.0 ± 0.4
4221 EN300-6736413_4_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCNC5=O −9.0 ± 0.3
4222 EN300-6736413_4_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCNC5=O −9.0 ± 0.3
4223 DAR-DIA-0cde14eb-60_2 molecule C[C@H](c1cccc(c1)C2(CC2)C#N)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.3
4224 MIC-UNK-bcd487e9-2_1 molecule c1ccc2c(c1)cncc2NC(=O)N(CC3CCCCC3)c4cccc(c4)Cl −9.0 ± 0.4
4225 EN300-175186_2_1_1 molecule C[C@@H](CO)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.2
4226 EN300-1448603_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)C5 −9.0 ± 0.3
4227 EN300-89418_4_1_1 molecule C[C@@](CO)(C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.0 ± 0.7
4228 EN300-97699_1_1_1 molecule C[C@@H](CS(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.4
4229 EN300-6478789_1_2_1 molecule C[C@H]1C(=O)NC2(O1)CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −9.0 ± 0.3
4230 EN300-188582_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)O −9.0 ± 0.3
4231 EN300-07936_2_1_1 molecule CCN(CC(=O)NC(C)C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.4
4232 EN300-31969_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N(C5)CC6CC6 −9.0 ± 0.3
4233 ALP-UNI-3496895b-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)[N@@]6[C@@H]5CCCC6 −9.0 ± 0.4
4234 EN300-7438088_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[C@@H]6CS(=O)(=O)C[C@@H]6C5 −9.0 ± 0.3
4235 EN300-1265949_2_2_1 molecule C[C@H](C(=O)N1CCS(=O)(=O)CC1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.4
4236 EN300-311920_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCS(=O)(=O)C5)F −9.0 ± 0.3
4237 DAR-DIA-0d514e7d-27_1_1 molecule C[C@@]1(c2cc(cc(c2OCC1(C)C)OC)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.3
4238 RAL-THA-8416115c-8_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)CC(=O)N −9.0 ± 0.3
4239 EN300-250416_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nc6ncccn6n5 −9.0 ± 0.3
4240 EDG-MED-ba1ac7b9-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@@H+]6CC[C@@H](C6)O −9.0 ± 0.3
4241 EN300-268198_1_1_1 molecule C[C@@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −9.0 ± 0.3
4242 EN300-155176_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCCS5(=O)=O −9.0 ± 0.4
4243 EN300-219496_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCC[N@](C5)S(=O)(=O)N −9.0 ± 0.3
4244 EN300-18249_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N −9.0 ± 0.3
4245 MAT-POS-3b92565d-2_1 molecule COc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −9.0 ± 0.3
4246 EN300-7494324_3_1_1 molecule Cc1c(nc[nH]1)C[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.0 ± 0.3
4247 EDJ-MED-e4b030d8-2_1_1 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.97 ± 0.05
4248 MAT-POS-fce787c2-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)O −9.0 ± 0.3
4249 EN300-306316_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]ncn5 −9.0 ± 0.3
4250 EN300-349304_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)O)O −9.0 ± 0.3
4251 LAU-MED-88a3970a-11_1 molecule C[NH2+]CCCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −9.0 ± 0.2
4252 EN300-1705754_4_1_1 molecule CC1(CS(=O)(=O)C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.5
4253 EN300-1630093_1_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@@]5(CCOC5)O −9.0 ± 0.3
4254 EN300-187998_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@]6(C5)CC(=O)NC6 −9.0 ± 0.3
4255 EN300-113234_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)OC5 −9.0 ± 0.2
4256 ALP-POS-3b848b35-4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](CCC3CCCCC3)c4cccc(c4)Cl −9.0 ± 0.3
4257 EN300-195756_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCC(=O)N5 −9.0 ± 0.2
4258 KAD-UNI-8a629cb0-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc(sc5)S(=O)(=O)N −9.0 ± 0.3
4259 EN300-94856_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5CC(C5)O −9.0 ± 0.3
4260 EDG-MED-90036822-90_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](c5ccccc5F)[NH3+] −9.0 ± 0.3
4261 MIC-UNK-91acba05-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNC(=O)c4c3cc(cc4)Cl −9.0 ± 0.2
4262 EN300-237224_2_1_1 molecule C[NH+]1CCC(CC1)OCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3
4263 MIC-UNK-91acba05-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl −9.0 ± 0.2
4264 DAR-DIA-5ff57136-11_1_2 molecule C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.0 ± 0.2
4265 PET-UNK-dd44aeb6-1_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3F)Cl −9.0 ± 0.2
4266 EN300-176877_3_1_1 molecule CN(C)C(=O)CCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.3
4267 RAL-THA-4aa06b95-5_1 molecule COCC(=O)N1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.4
4268 EN300-1911992_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]([C@@H]5CCOC5)O −9.0 ± 0.4
4269 PET-UNK-dd44aeb6-2_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3Cl)Cl −9.0 ± 0.3
4270 EDJ-MED-e4b030d8-2_1 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.95 ± 0.05
4271 RAL-THA-8416115c-14_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5cn[nH]n5 −8.9 ± 0.3
4272 EN300-7442332_1_1_1 molecule Cc1c(n(cn1)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2
4273 EN300-13489_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCN(CC5)C(=O)N −8.9 ± 0.3
4274 MAT-POS-fce787c2-3_1 molecule C[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −8.9 ± 0.3
4275 EDJ-MED-ee07cf00-11_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@H]4CC[C@@H](O4)C(=O)N5CCCC5 −8.9 ± 0.6
4276 EN300-247617_1_1_1 molecule Cc1cc(ncc1C(=O)N)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2
4277 EN300-103144_4_1_1 molecule CSCC[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.9 ± 0.4
4278 PET-UNK-cf04cb02-1_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC[NH2+]4 −8.9 ± 0.5
4279 EN300-6745453_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5Cc6nncn6C5 −8.9 ± 0.3
4280 EDG-MED-ba1ac7b9-2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5CO −8.9 ± 0.3
4281 EN300-260696_1_6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H]([C@H]5n6cccn6)O −8.9 ± 0.3
4282 EN300-174603_2_1_1 molecule CN(C(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −8.9 ± 0.3
4283 MAK-UNK-c749d764-25_2 molecule COC(=O)N(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F −8.9 ± 0.3
4284 EN300-35843_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[NH2+]NC(=O)N5 −8.9 ± 0.3
4285 EN300-158274_1_1_1 molecule CC(=O)N1C[C@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.9 ± 0.3
4286 EN300-31845_3_1_1 molecule COCCN1C[C@@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4
4287 EN300-173562_1_3_1 molecule C[C@@H]1C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.9 ± 0.3
4288 EN300-173562_1_3_1 molecule C[C@@H]1C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.9 ± 0.3
4289 DAR-DIA-6a508060-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)C5CC5 −8.94 ± 0.10
4290 EDJ-MED-e4b030d8-7_1 molecule COc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −8.9 ± 0.1
4291 EN300-264301_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCC(=O)N5 −8.9 ± 0.3
4292 EN300-23318_3_1_1 molecule C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4
4293 EN300-81038_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)COC6 −8.9 ± 0.3
4294 EN300-6499639_1_1_1 molecule Cc1cc(n(n1)C)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.3
4295 EN300-6499639_1_1_1 molecule CC1=N[N@]([C@H](C1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −8.9 ± 0.3
4296 EN300-6489289_1_1_1 molecule Cc1nnc2n1[C@@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.9 ± 0.2
4297 EN300-39007_1_1_1 molecule CCN(CC(=O)NC)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3
4298 EN300-211482_2_1_1 molecule C[C@@H](C(=O)NC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.2
4299 EN300-211482_2_1_1 molecule C[C@@H](C(=O)NC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.2
4300 DAR-DIA-0cde14eb-47_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C4(CC4)Cl −8.9 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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