Microstates

Showing 301 through 400 of 11295
Rank Microstate SMILES ΔG / kcal M-1
301 EN300-214172_1_1 molecule Cn1cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.2
302 VLA-UCB-34f3ed0c-21_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CC[C@H]5CC(=O)NC5 −12.2 ± 0.4
303 EN300-208236_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCc6c5nn[nH]6 −12.2 ± 0.4
304 EN300-204133_1_1 molecule COC1(CCOCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.3
305 EN300-19926_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC#N −12.2 ± 0.3
306 EN300-23942_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cccn5 −12.2 ± 0.2
307 EN300-1601684_1_1 molecule CC1([C@@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −12.2 ± 0.3
308 EN300-245098_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5C(=O)N −12.2 ± 0.3
309 EN300-174668_1_2 molecule CO[C@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.4
310 EN300-261210_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCOC5)C#N −12.2 ± 0.3
311 EN300-268087_1_1 molecule CC(C)(C)n1nc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.3
312 EN300-198515_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −12.2 ± 0.3
313 EN300-254883_1_1 molecule Cc1c(non1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.2
314 EN300-114082_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C#N −12.2 ± 0.2
315 EN300-27341_1_1 molecule CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.5
316 EN300-7540889_1_1 molecule COc1ccc(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.2
317 EN300-1589101_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5c[nH]nc5 −12.2 ± 0.3
318 VLA-UCB-551c2366-1_1 molecule CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.2
319 EN300-315238_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@H](O5)C(=O)N −12.2 ± 0.4
320 DAR-DIA-5ff57136-13_1 molecule C#CCN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −12.2 ± 0.1
321 EN300-1662365_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6ncnn6C5 −12.2 ± 0.3
322 EN300-1696962_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCn5cnnn5 −12.2 ± 0.3
323 EN300-2910941_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C(F)(F)F −12.2 ± 0.3
324 EN300-94945_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCNC5=O −12.2 ± 0.2
325 EN300-178876_1_1 molecule C[C@@]1(CCCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.2 ± 0.4
326 EN300-4293814_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS(=O)(=O)CCO −12.2 ± 0.5
327 EN300-111006_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccncn5 −12.1 ± 0.2
328 EN300-313062_1_4 molecule CC(=O)N1C[C@H]2C[C@]2(C1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.1 ± 0.2
329 EN300-6481287_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5[C@@H](C[C@H]6[C@@H]5CC6=O)O −12.1 ± 0.3
330 EN300-211203_1_1 molecule CC(C)[C@@]1(CC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
331 EN300-1932780_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C(F)F)O −12.1 ± 0.3
332 EN300-12067_3_1 molecule Cc1csc(=O)n1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
333 EN300-1644723_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[C@H]5COCC6 −12.1 ± 0.2
334 EN300-7473378_1_1 molecule CN1CCC(CC1)(C#N)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.4
335 EN300-1244816_1_1 molecule Cc1nnnn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
336 EN300-657320_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CSCC(=O)N5 −12.1 ± 0.3
337 EN300-11714_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccccc5=O −12.1 ± 0.3
338 EN300-111863_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C#N −12.1 ± 0.2
339 EN300-6745453_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5Cc6nncn6C5 −12.1 ± 0.3
340 EN300-373552_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc(n5)F −12.1 ± 0.2
341 EN300-216978_1_1 molecule Cn1nc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.2
342 EN300-322400_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F −12.1 ± 0.4
343 EN300-1387104_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS5(=O)=O −12.1 ± 0.3
344 EN300-20496_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCOC5=O −12.1 ± 0.3
345 EN300-6739879_1_1 molecule C[C@@H]1CCN([C@@H]2[C@@H]1CNC2=O)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.1 ± 0.4
346 EN300-261210_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)C#N −12.1 ± 0.3
347 EN300-217107_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H]5C(=O)N −12.1 ± 0.2
348 EN300-7436306_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NO[C@H]6[C@@H]5COC6 −12.1 ± 0.3
349 EN300-6763072_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C56CC(C5)C6 −12.1 ± 0.3
350 EN300-72211_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CC5)O −12.1 ± 0.2
351 EN300-28871_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnn5 −12.1 ± 0.3
352 EN300-28871_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnn5 −12.1 ± 0.3
353 EN300-7456948_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cccnn5 −12.1 ± 0.2
354 EN300-174668_1_1 molecule CO[C@@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.4
355 EN300-207959_1_1 molecule C[C@@]1(CCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
356 EN300-1301381_1_2 molecule COC[C@]1(CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
357 EN300-310173_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CCO5)Cn6ccnc6 −12.1 ± 0.4
358 EN300-301925_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCCOC5)C#N −12.1 ± 0.4
359 EN300-295905_1_1 molecule C[C@@H]1CN(C[C@@H](O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
360 EN300-04433_4_1 molecule CSCC[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −12.1 ± 0.4
361 EN300-75482_1_1 molecule Cc1c(c(n(n1)C)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
362 EN300-92664_1_1 molecule COCCn1c(ccn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
363 EN300-255795_1_1 molecule CN1C[C@@H](NC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.2
364 EDJ-MED-28ec730d-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nc5 −12.1 ± 0.2
365 EN300-754584_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CS(=O)(=O)CC(=O)N5 −12.1 ± 0.2
366 EN300-94945_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCNC5=O −12.1 ± 0.2
367 EN300-25446_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnco5 −12.1 ± 0.2
368 VLA-UCB-34f3ed0c-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5cc[nH]n5 −12.1 ± 0.2
369 EN300-1448674_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(ncn6)C5 −12.1 ± 0.2
370 EN300-185729_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6c(nn[nH]6)C5 −12.1 ± 0.3
371 EN300-6745453_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5Cc6nncn6C5 −12.1 ± 0.2
372 EN300-6505003_1_2 molecule C[C@H]1CC[C@@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
373 EN300-6494474_3_1 molecule Cn1cnnc1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
374 EN300-1726073_1_1 molecule Cn1c(cnn1)C(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F −12.1 ± 0.3
375 EN300-173006_2_1 molecule C[C@@H](c1nnnn1C)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.1 ± 0.3
376 EN300-226314_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5CCS(=O)(=O)C5 −12.1 ± 0.4
377 EN300-1072199_1_1 molecule CO[C@@]1(CCCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
378 EN300-69107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC5 −12.0 ± 0.4
379 EN300-69107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)NCC5 −12.0 ± 0.4
380 EN300-246440_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cncn6 −12.0 ± 0.3
381 EN300-97847_1_1 molecule Cn1cc(nc1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.2
382 EN300-306316_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]cnn5 −12.0 ± 0.2
383 EN300-18249_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N −12.0 ± 0.2
384 EN300-171522_1_1 molecule Cn1ccc(=O)c(c1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
385 EN300-246440_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6cncn6 −12.0 ± 0.3
386 EN300-125874_1_1 molecule Cn1cnnc1N(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
387 EN300-1718836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nnc6n5CCOC6 −12.0 ± 0.3
388 EN300-18928_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CSCN5C(=O)C6CC6 −12.0 ± 0.4
389 EN300-270710_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)N −12.0 ± 0.3
390 VLA-UCB-34f3ed0c-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 −12.0 ± 0.3
391 EN300-27341_3_2 molecule CS(=O)(=O)N1CCC[C@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.5
392 EN300-783124_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H]5CCOC5)F −12.0 ± 0.2
393 EN300-21258_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCO −12.0 ± 0.2
394 EN300-93573_1_1 molecule CN(C)C(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.0 ± 0.2
395 EN300-122849_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6ncon6 −12.0 ± 0.3
396 EN300-6759972_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](CC5)NC(=O)N −12.0 ± 0.4
397 EN300-149013_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c([nH]nn5)Cl −12.0 ± 0.2
398 EN300-6477724_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@@H]5c6[nH]cnn6 −12.0 ± 0.4
399 EN300-651307_3_1 molecule CC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −12.0 ± 0.4
400 EN300-188356_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)F −12.0 ± 0.2
Last updated 2021-02-11T07:27:27.453800+00:00
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