Microstates

Showing 401 through 500 of 11295
Rank Microstate SMILES ΔG / kcal M-1
401 EN300-114133_1_1 molecule CCC(=O)N1CC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.4
402 EN300-220676_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCS(=O)(=O)C5 −12.0 ± 0.3
403 EN300-62574_2_1 molecule Cn1c(nnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.2
404 EN300-1074262_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5cnn6 −12.0 ± 0.3
405 EN300-658559_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6ccnn6 −12.0 ± 0.3
406 EN300-301925_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCCOC5)C#N −12.0 ± 0.3
407 EN300-21221_1_1 molecule Cc1ccn2c(n1)nc(n2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.0 ± 0.2
408 EN300-370792_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5cnccn5 −12.0 ± 0.3
409 EN300-212266_1_1 molecule CC(C)C(=O)N[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.0 ± 0.4
410 EN300-6277108_3_4 molecule CO[C@H]([C@H]1CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
411 EN300-20980_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnnn5 −12.0 ± 0.2
412 EN300-225560_1_1 molecule CCn1c(cnn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.2
413 EN300-201551_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCCN5CC(F)(F)F −12.0 ± 0.4
414 EN300-7435929_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc6c(n5)CCOC6 −12.0 ± 0.3
415 EN300-108413_1_2 molecule C[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −12.0 ± 0.2
416 EN300-45182_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCN5CCOC5=O −12.0 ± 0.3
417 EN300-237561_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)cccn5 −12.0 ± 0.3
418 EN300-60514_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(cn5)S(=O)(=O)N −12.0 ± 0.4
419 EN300-7501017_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@@H]6[C@H]5C(=O)NC6 −12.0 ± 0.2
420 EN300-180069_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −12.0 ± 0.3
421 EN300-69811_1_1 molecule Cn1cccc(c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
422 EN300-28894_1_1 molecule Cc1c(nn(c(=O)c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C)C −12.0 ± 0.2
423 EN300-1248064_1_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −12.0 ± 0.3
424 EN300-260816_3_2 molecule CN1CC[C@H](C1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
425 EN300-1178005_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)C#N −12.0 ± 0.2
426 VLA-UCB-50c39ae8-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl −12.0 ± 0.2
427 EN300-1301381_3_1 molecule COC[C@@]1(CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
428 EN300-64193_3_1 molecule Cc1nnc(o1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
429 EN300-202922_3_2 molecule C[C@H]([C@@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −12.0 ± 0.4
430 EN300-169955_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@@H](CC(=O)N5)C(F)(F)F −12.0 ± 0.3
431 EN300-143449_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCN(=O)=O −12.0 ± 0.3
432 EN300-78753_3_1 molecule CC1(COC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.3
433 EN300-107267_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCCNC5=O −12.0 ± 0.3
434 EN300-120820_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cn[nH]c5=O −12.0 ± 0.2
435 EN300-113112_2_1 molecule Cn1cnnc1COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.2
436 EN300-1600517_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H](CO)F −12.0 ± 0.3
437 EN300-94900_3_1 molecule CS(=O)(=O)Cc1nc(on1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.0 ± 0.4
438 EN300-148421_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)O −12.0 ± 0.3
439 EN300-109540_3_1 molecule C[C@@H](c1cn(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −12.0 ± 0.4
440 EN300-80230_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncccn5 −11.9 ± 0.2
441 EN300-80230_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncccn5 −11.9 ± 0.2
442 EN300-6745081_1_1 molecule C[C@@]1(CCCCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.4
443 EN300-36158_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCCO5 −11.9 ± 0.2
444 EN300-133128_1_1 molecule CN(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.3
445 EN300-220194_1_4 molecule C[C@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −11.9 ± 0.2
446 EN300-248883_1_1 molecule COC[C@@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
447 EN300-1726277_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](n5cccn5)F −11.9 ± 0.3
448 EN300-123589_1_1 molecule CC(C)(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.2
449 EN300-6729747_1_1 molecule Cc1nnc2n1C[C@@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.9 ± 0.3
450 EN300-175425_1_2 molecule CC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −11.9 ± 0.3
451 EN300-7431629_3_2 molecule Cc1nnc2n1CC[C@]2(C)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.9 ± 0.3
452 EN300-7430501_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(cnn6)C5 −11.9 ± 0.3
453 EN300-7430501_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCn6c(cnn6)C5 −11.9 ± 0.3
454 EN300-341337_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCO[C@H]5CCOC6 −11.9 ± 0.3
455 EN300-1387145_1_1 molecule CS(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
456 EN300-210552_3_2 molecule CC(=O)N1CCC[C@](C1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.9 ± 0.5
457 EN300-21009_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCO5 −11.9 ± 0.2
458 EN300-6764836_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC6[C@H]([C@@H](C5O6)O)O −11.9 ± 0.3
459 EN300-6482296_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@H]6[C@H]5COC6 −11.9 ± 0.3
460 EN300-10747_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CSCC5=O −11.9 ± 0.2
461 EN300-6494158_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@H](CO5)CO −11.9 ± 0.3
462 EN300-1700760_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CC(=O)N6 −11.9 ± 0.3
463 EN300-14458_3_2 molecule C[C@H](C(=O)N(C)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.3
464 EN300-6744028_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC6CC5[C@H]([C@@H]6O)O −11.9 ± 0.3
465 EN300-702756_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CS(=O)(=O)CC(=O)N5 −11.9 ± 0.2
466 EN300-245265_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cnc(n5)C#N −11.9 ± 0.4
467 EN300-20375_1_1 molecule COCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.2
468 EN300-1719432_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5nc(nn5)C6CC6 −11.9 ± 0.3
469 EN300-181492_1_2 molecule C=C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.9 ± 0.2
470 EN300-79180_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CCOCC5)O −11.9 ± 0.3
471 EN300-6733459_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCCN5S(=O)(=O)CC6 −11.9 ± 0.5
472 EN300-184266_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N5 −11.9 ± 0.3
473 EN300-72730_2_2 molecule C[C@H](C#N)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.9 ± 0.2
474 EN300-150212_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(n[nH]5)F −11.9 ± 0.2
475 EN300-209048_1_2 molecule CN1CC[C@H](C1=O)N(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
476 EN300-209048_1_2 molecule CN1CC[C@H](C1=O)N(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
477 EN300-83864_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)S(=O)(=O)N −11.9 ± 0.4
478 EN300-300217_1_4 molecule C/C=C/[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.9 ± 0.2
479 EN300-127197_3_1 molecule COc1cc(on1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.4
480 EN300-258477_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.9 ± 0.3
481 EN300-1719432_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5nc(nn5)C6CC6 −11.9 ± 0.3
482 EN300-393121_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(=O)[nH]ccn6n5 −11.9 ± 0.3
483 EN300-70431_1_1 molecule COc1c(c(ncn1)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.2
484 EN300-6494474_1_1 molecule Cn1cnnc1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.2
485 EN300-171766_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5n[nH]c(=O)s5 −11.9 ± 0.3
486 EN300-132157_2_1 molecule C[C@@]1(CC(=O)NC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
487 EN300-270422_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@@H](C5)F)O −11.9 ± 0.3
488 EN300-113218_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@@H]5CCOC5=O −11.9 ± 0.3
489 EN300-97758_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCF −11.9 ± 0.2
490 EN300-123416_1_1 molecule CCCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
491 EN300-7461217_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]([C@@H](C5)F)O −11.9 ± 0.3
492 EN300-1789253_1_1 molecule Cn1cc(nn1)c2cc(no2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.9 ± 0.2
493 EN300-6729572_1_6 molecule C[C@H]([C@@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.9 ± 0.2
494 EN300-25960_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCC5)O −11.9 ± 0.3
495 EN300-245264_1_2 molecule CC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −11.9 ± 0.3
496 EN300-7444950_3_1 molecule COc1cc(ncn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
497 EN300-1932780_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](C(F)F)O −11.9 ± 0.3
498 EN300-172179_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCOC5=O −11.9 ± 0.3
499 EN300-1138792_1_1 molecule Cn1cnnc1CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.2
500 EN300-66845_3_2 molecule COC(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.9 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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