Microstates

Showing 501 through 600 of 7698
Rank Microstate SMILES ΔG / kcal M-1
501 EDJ-MED-d203f206-31_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)C5CCOCC5 −11.4 ± 0.3
502 MAK-UNK-3875bbc8-2_1 molecule CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.39 ± 0.09
503 DAR-DIA-076fb6ea-9_2 molecule c1ccc2c(c1)cncc2N(C#C[C@H]3CCC[NH2+]3)C(=O)Cc4cccc(c4)Cl −11.4 ± 0.5
504 EN300-7432302_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CC[C@H](C5)[C@@H]([C@@H]6O)O −11.4 ± 0.3
505 MIC-UNK-50cce87d-12_1 molecule COc1cccc2c1c(cnc2)N3CCC[C@@H](C3=O)c4cccc(c4)Cl −11.4 ± 0.2
506 EN300-1915260_4_2_1 molecule COC[C@H](COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.4 ± 0.5
507 EN300-54891_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CO −11.4 ± 0.3
508 EN300-1072972_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCOC5=O −11.4 ± 0.4
509 EN300-1600363_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5C#N −11.4 ± 0.2
510 EN300-157527_1_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)n6cnnc6 −11.4 ± 0.3
511 EN300-105267_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5cnccn5 −11.4 ± 0.2
512 EN300-1273172_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc(cn5)C(=O)N −11.4 ± 0.3
513 EDG-MED-90036822-79_1 molecule Cc1c(c(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −11.4 ± 0.3
514 EN300-5253939_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COC(=O)O5 −11.4 ± 0.2
515 EN300-310173_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CCO5)Cn6ccnc6 −11.4 ± 0.4
516 EN300-6745081_1_1_1 molecule C[C@@]1(CCCCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
517 EN300-143564_1_1_1 molecule CN\1C(=O)CS/C1=C\C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
518 EN300-101291_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(c(=O)[nH]c5=O)CCO −11.4 ± 0.4
519 EN300-20668_3_1_1 molecule COC(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.3
520 EN300-06030_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cc5)n6cnnn6 −11.4 ± 0.3
521 EN300-6526669_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5C(=O)NCC6 −11.4 ± 0.3
522 EN300-260152_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnns5 −11.4 ± 0.2
523 EN300-102487_1_1_1 molecule Cn1c(=O)c(c[nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
524 EN300-174603_3_1_1 molecule CN(C(=O)CCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.4 ± 0.3
525 EN300-44821_1_1_1 molecule C=CCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.2
526 MIC-UNK-9582b2c5-3_4 molecule CC(=O)N1CC[C@H]2[C@H](C1)CN(C(=O)N2c3cccc(c3)Cl)c4cncc5c4cccc5 −11.4 ± 0.3
527 EN300-6744028_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]6C[C@@H]5[C@H]([C@@H]6O)O −11.4 ± 0.3
528 EN300-80230_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncccn5 −11.3 ± 0.2
529 EN300-80230_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncccn5 −11.3 ± 0.2
530 EN300-365398_2_1_1 molecule Cn1c(nnn1)CCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
531 EDG-MED-90036822-99_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H](C5CCC5)O)F −11.3 ± 0.3
532 EDJ-MED-6864a934-7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nc5)n[nH]n6 −11.3 ± 0.2
533 EN300-244278_1_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C=C6COCC[N@@]6N5 −11.3 ± 0.3
534 EN300-1600517_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H](CO)F −11.3 ± 0.3
535 EN300-94945_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCNC5=O −11.3 ± 0.2
536 EN300-4293814_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)CCO −11.3 ± 0.5
537 EN300-213358_1_1_1 molecule Cn1c(ncn1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.2
538 EN300-97697_1_1_1 molecule CN(C1CC(C1)O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
539 EN300-7463171_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCO −11.3 ± 0.4
540 EN300-205622_1_1_1 molecule CS(=O)(=O)c1nccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
541 EN300-42131_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c(=O)[nH]c6=O)nc5 −11.3 ± 0.3
542 EN300-107892_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C6CC6 −11.3 ± 0.3
543 EDJ-MED-d203f206-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6ncon6 −11.3 ± 0.4
544 EN300-6238494_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@@H]5COCCO5 −11.3 ± 0.3
545 EN300-41423_1_1_1 molecule Cc1ccc(c(=O)n1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
546 EN300-6733459_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCC[N@@]5S(=O)(=O)CC6 −11.3 ± 0.5
547 VLA-UCB-50c39ae8-1_1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.3 ± 0.1
548 EDJ-MED-d203f206-41_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CO −11.3 ± 0.3
549 EN300-102347_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5(COC5)CO −11.3 ± 0.3
550 EN300-6744028_1_6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]6C[C@@H]5[C@@H]([C@H]6O)O −11.3 ± 0.2
551 EN300-1268016_1_11_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@H](C6)C(=O)N −11.3 ± 0.4
552 EN300-59285_3_1_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.3 ± 0.3
553 EN300-2011083_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)OCC5 −11.3 ± 0.3
554 EN300-52983_1_1_1 molecule CN1C[C@@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
555 EN300-298552_1_2_1 molecule CO[C@H]([C@@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.2
556 EN300-111863_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnc(n5)C#N −11.3 ± 0.3
557 EN300-226964_1_1_1 molecule Cc1ccn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.2
558 EN300-169955_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@@H](CC(=O)N5)C(F)(F)F −11.3 ± 0.2
559 EN300-227218_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[N@@H+]6CC[C@H]5C6 −11.3 ± 0.3
560 EN300-195924_3_2_1 molecule C[C@]1(CCC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.4
561 EDJ-MED-28ec730d-5_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nc5 −11.3 ± 0.3
562 EN300-6759512_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6COC[C@@H]6F −11.3 ± 0.3
563 EN300-731622_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5COCCO5 −11.3 ± 0.2
564 EN300-140582_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCC[N@]5CC(F)F −11.3 ± 0.3
565 EN300-1696962_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCn5cnnn5 −11.3 ± 0.3
566 EN300-7434209_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc6c5[nH]c(=O)[nH]6 −11.3 ± 0.3
567 ALP-UNI-44c99a80-3_1 molecule c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −11.3 ± 0.2
568 EN300-29220_1_1_1 molecule Cc1c(n[nH]c(=O)c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −11.3 ± 0.3
569 EN300-23942_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cccn5 −11.3 ± 0.2
570 EN300-54304_1_1_1 molecule CCOCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.2
571 EN300-138676_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)CC(F)(F)F −11.3 ± 0.3
572 ED_-GRI-5b13fbe2-74_1 molecule C[N@@H+]1CCO[C@@H](C1)c2nccc(n2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.3 ± 0.3
573 EN300-254883_3_1_1 molecule Cc1c(non1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
574 EN300-1273362_3_1_1 molecule C[C@@]1(CN(C1=O)C)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.3
575 EDJ-MED-d203f206-13_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5cnncn5 −11.3 ± 0.2
576 VLA-UCB-50c39ae8-8_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5C[C@@H]([NH2+]5)O)Cl −11.3 ± 0.3
577 EN300-175186_3_2_1 molecule C[C@H](CO)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.3
578 EN300-18928_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CSCN5C(=O)C6CC6 −11.3 ± 0.3
579 EN300-131465_1_1_1 molecule COc1cc(on1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.2
580 EDG-MED-90036822-94_8 molecule C[C@H]1C[C@H]1[C@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F)O −11.3 ± 0.3
581 EN300-21258_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCO −11.3 ± 0.2
582 EN300-322400_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F −11.3 ± 0.3
583 EN300-178876_1_1_1 molecule C[C@@]1(CCCNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.3 ± 0.4
584 EN300-83527_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6ncccn6n5 −11.3 ± 0.2
585 EN300-1644723_1_7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@H]6[C@H]5COCC6 −11.3 ± 0.2
586 EN300-217343_1_1_1 molecule Cn1c2c(nn1)CC[C@@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.3 ± 0.3
587 EN300-246248_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCNC5=O −11.3 ± 0.2
588 EN300-637522_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C6CCC5(CC6)C(=O)N −11.3 ± 0.3
589 EN300-20375_1_1_1 molecule COCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.3 ± 0.2
590 MIC-UNK-50cce87d-10_2 molecule c1cc(cc(c1)Cl)[C@H]2CCCN(C2=O)c3cncc4c3c(ccc4)Cl −11.3 ± 0.2
591 EN300-270710_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)N −11.3 ± 0.2
592 EN300-114526_1_1_1 molecule Cc1c(c([nH]n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.3 ± 0.2
593 EN300-238234_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c5=O)CCC[C@H]6O −11.2 ± 0.4
594 EN300-139268_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC(F)(F)F −11.2 ± 0.2
595 EN300-343474_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCNC5=O −11.2 ± 0.3
596 EN300-11934_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC5=O −11.2 ± 0.3
597 EN300-90225_3_1_1 molecule Cn1nc(nn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.2 ± 0.3
598 EN300-332606_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)O5 −11.2 ± 0.2
599 EN300-658559_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6ccnn6 −11.2 ± 0.3
600 EN300-311920_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCS(=O)(=O)C5)F −11.2 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty