Microstates

Showing 201 through 300 of 11295
Rank Microstate SMILES ΔG / kcal M-1
201 VLA-UCB-34f3ed0c-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)NCc5cc[nH]n5 −12.5 ± 0.2
202 EN300-13489_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCN(CC5)C(=O)N −12.5 ± 0.3
203 EN300-307008_2_1 molecule CN1[C@@H](CNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.5 ± 0.2
204 EN300-244148_1_1 molecule Cn1cc(c(n1)COC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.5 ± 0.2
205 EN300-09239_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)n6cnnn6 −12.5 ± 0.3
206 EN300-99391_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@@H]5CCOC5 −12.5 ± 0.2
207 EN300-261210_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)C#N −12.5 ± 0.3
208 EN300-1722017_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6nccn6 −12.5 ± 0.3
209 EN300-112500_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)C5CC5 −12.5 ± 0.3
210 EN300-317082_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC5COC5 −12.5 ± 0.2
211 EN300-311920_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCS(=O)(=O)C5)F −12.4 ± 0.3
212 EN300-140582_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCCN5CC(F)F −12.4 ± 0.3
213 EN300-749499_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5(CCOCC5)O)O −12.4 ± 0.3
214 EN300-260152_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnns5 −12.4 ± 0.2
215 EN300-37102_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)C5CC5 −12.4 ± 0.4
216 EN300-1681046_1_1 molecule Cn1c2c(c(n1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)COCC2 −12.4 ± 0.3
217 EN300-1724086_1_3 molecule C[C@@H]1C[C@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −12.4 ± 0.2
218 EN300-6737762_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCNC5=O −12.4 ± 0.3
219 EN300-6499719_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6ccnc6n5 −12.4 ± 0.2
220 EN300-7412943_1_1 molecule CC1(CN(C[C@@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −12.4 ± 0.4
221 ALP-UNI-44c99a80-2_1 molecule c1ccc2c(c1)cncc2N(Cc3cnc[nH]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −12.4 ± 0.2
222 EN300-1072199_1_2 molecule CO[C@]1(CCCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.4 ± 0.3
223 EN300-42131_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c(=O)[nH]c6=O)nc5 −12.4 ± 0.3
224 EN300-09325_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccccc5n6cnnn6 −12.4 ± 0.3
225 EN300-98648_3_2 molecule CN1CC[C@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.4 ± 0.2
226 EN300-98648_3_2 molecule CN1CC[C@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.4 ± 0.2
227 EN300-366857_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5ncn6 −12.4 ± 0.2
228 EN300-1248064_3_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −12.4 ± 0.3
229 EN300-186943_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCOCC5=O −12.4 ± 0.3
230 EN300-2908024_4_1 molecule CC[C@@](C)(C(=O)N)C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.4 ± 0.4
231 EN300-65352_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ncccn5 −12.4 ± 0.4
232 EN300-26973_1_1 molecule Cc1nc(nn1c2[nH]cnn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.4 ± 0.3
233 EN300-6489289_1_2 molecule Cc1nnc2n1[C@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.4 ± 0.3
234 EN300-94945_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCNC5=O −12.4 ± 0.2
235 EN300-14767_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCN(C5)C(=O)N −12.4 ± 0.2
236 EN300-250836_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5c[nH]nc5 −12.4 ± 0.4
237 EN300-315963_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnoc5 −12.4 ± 0.2
238 EN300-104395_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCO5 −12.4 ± 0.2
239 EN300-149975_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)CO −12.4 ± 0.3
240 EN300-748981_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCn6c5nnc6 −12.4 ± 0.3
241 EN300-1716880_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)Cc6c[nH]nn6 −12.4 ± 0.4
242 EN300-263085_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6cnnn6 −12.4 ± 0.3
243 EN300-225012_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6nccn6ccn5 −12.4 ± 0.2
244 EN300-225012_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6nccn6ccn5 −12.4 ± 0.2
245 EN300-7445396_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6c[nH]cc6S5(=O)=O −12.3 ± 0.3
246 EN300-248526_3_2 molecule c1ccc(cc1)[C@](COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −12.3 ± 0.5
247 EN300-1644723_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[C@@H]5COCC6 −12.3 ± 0.2
248 EN300-7444533_1_2 molecule C[C@H]1C[C@@H](C(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.3
249 EN300-1700710_1_1 molecule Cn1ccnc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.2
250 EN300-198515_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −12.3 ± 0.3
251 EN300-1932013_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CC(F)(F)F)O −12.3 ± 0.3
252 EN300-115017_1_1 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −12.3 ± 0.2
253 EN300-207959_3_1 molecule C[C@@]1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.3
254 EN300-128324_1_1 molecule Cn1cc(c(=O)c2c1n(nc2)C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.3 ± 0.3
255 EN300-7432415_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C6(CCC6)OC(=O)N5 −12.3 ± 0.3
256 EN300-6479181_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@H]6N5C(=O)CC6 −12.3 ± 0.4
257 EN300-6744028_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC6CC5[C@@H]([C@H]6O)O −12.3 ± 0.4
258 EN300-143564_1_2 molecule CN\1C(=O)CS/C1=C/C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.2
259 EN300-133058_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)n[nH]n6 −12.3 ± 0.3
260 EN300-58864_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)C(=O)N −12.3 ± 0.3
261 DAR-DIA-5ff57136-12_2 molecule c1ccc2c(c1)cncc2N(C#C[C@H]3CCCN3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −12.3 ± 0.2
262 EN300-92790_1_1 molecule Cn1ccc(n1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.3
263 EN300-244278_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCOC6 −12.3 ± 0.2
264 EN300-269453_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nnnn6C5 −12.3 ± 0.3
265 EN300-181688_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCO6 −12.3 ± 0.2
266 EN300-17381_3_2 molecule C[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.3 ± 0.3
267 EN300-17381_3_2 molecule C[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.3 ± 0.3
268 EN300-17381_3_2 molecule C[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.3 ± 0.3
269 EN300-323327_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(n5)ccn6 −12.3 ± 0.2
270 EN300-359842_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ccnn6ccn5 −12.3 ± 0.3
271 EN300-6526669_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5C(=O)NCC6 −12.3 ± 0.3
272 EN300-7430501_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(cnn6)C5 −12.3 ± 0.3
273 EN300-7430501_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(cnn6)C5 −12.3 ± 0.3
274 EN300-186929_1_1 molecule Cc1c(nc[nH]1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.2
275 EN300-6478631_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6n5cnn6 −12.3 ± 0.4
276 EN300-211482_3_2 molecule C[C@H](C(=O)NC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.3 ± 0.3
277 EN300-211482_3_2 molecule C[C@H](C(=O)NC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.3 ± 0.3
278 EN300-65839_3_1 molecule CC[C@@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.3 ± 0.3
279 EN300-19762_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)CCO −12.3 ± 0.4
280 EN300-04520_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)S(=O)(=O)N −12.3 ± 0.3
281 EN300-90142_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC[C@H](C5)C(=O)N −12.3 ± 0.4
282 EN300-298552_1_1 molecule CO[C@@H]([C@@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.2
283 EN300-12067_1_1 molecule Cc1csc(=O)n1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.3 ± 0.3
284 EN300-254121_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](c5cnc[nH]5)O −12.3 ± 0.4
285 EN300-249093_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CC(=O)N −12.3 ± 0.3
286 EN300-23318_3_4 molecule C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.5
287 EN300-92684_1_2 molecule Cc1c(cn(n1)C)C2=NO[C@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.2 ± 0.3
288 EN300-301925_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCOC5)C#N −12.2 ± 0.4
289 EN300-253571_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nnnn6CC5 −12.2 ± 0.3
290 EN300-307008_1_2 molecule CN1[C@H](CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.2
291 EN300-304135_1_1 molecule CC[C@@]1(CCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.3
292 EN300-131093_3_2 molecule C[C@H](C(=O)NCC(=O)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.2 ± 0.3
293 EN300-209316_1_1 molecule Cn1c(ncn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.2
294 EN300-190283_1_2 molecule Cn1cncc1[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −12.2 ± 0.3
295 EN300-07879_1_1 molecule CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.2 ± 0.2
296 EN300-263456_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)n(n5)CCF −12.2 ± 0.3
297 EN300-262204_3_1 molecule CS(=O)(=O)CC1(COC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.3
298 EN300-1627945_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@@H]5CCCOC5 −12.2 ± 0.2
299 EN300-204935_3_1 molecule Cn1ncc(n1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.3
300 EN300-116313_1_1 molecule CC(=O)N1CCOC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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