Microstates

Showing 601 through 700 of 11295
Rank Microstate SMILES ΔG / kcal M-1
601 EN300-83527_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6ncccn6n5 −11.7 ± 0.2
602 EN300-370753_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](C5)C(=O)N −11.7 ± 0.4
603 EN300-205635_1_1 molecule COC(=O)COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.3
604 EN300-1627945_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@H]5CCCOC5 −11.7 ± 0.3
605 EN300-107892_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C6CC6 −11.7 ± 0.3
606 EN300-301690_3_2 molecule CS(=O)(=O)N1CC[C@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
607 EN300-217107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@H]5C(=O)N −11.7 ± 0.3
608 EN300-151330_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)c6cccnc6 −11.7 ± 0.2
609 EN300-1726277_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](n5cccn5)F −11.7 ± 0.3
610 EN300-152337_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)NCC5 −11.7 ± 0.3
611 EN300-250112_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5csc(n5)CO −11.7 ± 0.2
612 EN300-66845_2_2 molecule COC(=O)N1CCC[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
613 EN300-6479181_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 −11.7 ± 0.3
614 EN300-246423_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCC5)O −11.7 ± 0.3
615 EN300-365398_4_1 molecule Cn1c(nnn1)CCOCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
616 EN300-258702_1_1 molecule Cn1ccc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
617 EN300-258702_1_1 molecule Cn1ccc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
618 MAK-UNK-8be7dca9-6_1 molecule c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)CN −11.71 ± 0.09
619 EN300-249421_3_4 molecule C[C@H]([C@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
620 EN300-90225_2_1 molecule Cn1nc(nn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
621 EN300-93174_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(c5c[nH]c(=O)[nH]c5=O)(F)F −11.7 ± 0.4
622 FRA-DIA-b66f7109-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4Cl)O[C@H]5CC(=O)N5 −11.7 ± 0.3
623 EN300-217343_2_1 molecule Cn1c2c(nn1)CC[C@@H](C2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.7 ± 0.3
624 EN300-17161_1_1 molecule CCOC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.3
625 EN300-1073264_1_1 molecule Cn1cc(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
626 EN300-332606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)O5 −11.7 ± 0.2
627 EN300-216673_3_1 molecule Cn1c(cnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
628 EN300-217343_3_2 molecule Cn1c2c(nn1)CC[C@H](C2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.7 ± 0.3
629 EN300-385235_1_2 molecule C[C@]1(CCS(=O)(=O)N1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.4
630 EN300-132615_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −11.7 ± 0.2
631 EN300-132615_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −11.7 ± 0.3
632 EN300-2923949_1_4 molecule c1ccc(cc1)[C@H]([C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)O −11.7 ± 0.3
633 EN300-51832_1_1 molecule Cc1cnn(c1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
634 EN300-1138792_3_1 molecule Cn1cnnc1CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
635 EN300-310022_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H](CN5c6ccncn6)O −11.7 ± 0.6
636 EN300-1273362_3_1 molecule C[C@@]1(CN(C1=O)C)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
637 EN300-131465_1_1 molecule COc1cc(on1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.2
638 EN300-122656_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCSC5)O −11.7 ± 0.4
639 EN300-136051_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC6(C5)CCOC6 −11.7 ± 0.4
640 EN300-316196_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6CC[C@H]6O −11.7 ± 0.3
641 EN300-717276_3_1 molecule CCn1cc(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.4
642 EN300-73772_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]c(=O)[nH]n5 −11.7 ± 0.3
643 EN300-2690393_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cnc5)n6cnnn6 −11.7 ± 0.2
644 EN300-305294_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@@H]([C@@H]6C5)O −11.7 ± 0.3
645 EN300-6277108_1_2 molecule CO[C@H]([C@@H]1CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.7 ± 0.3
646 EN300-96159_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5[nH]cnn5 −11.7 ± 0.3
647 EN300-1273016_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCc6n5ncn6 −11.7 ± 0.3
648 EN300-261210_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCOC5)C#N −11.7 ± 0.3
649 EN300-218116_2_1 molecule CC(CO)(CO)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.3
650 EN300-6735683_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](O[C@@H](C5)CO)CO −11.7 ± 0.4
651 EN300-51736_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5cccc(c5)C(=O)N −11.7 ± 0.3
652 EN300-122319_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]c(=O)[nH]n5 −11.7 ± 0.2
653 EN300-95094_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CSC5 −11.7 ± 0.2
654 EN300-88656_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCS5(=O)=O −11.7 ± 0.4
655 EN300-44821_1_1 molecule C=CCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.7 ± 0.2
656 EN300-71405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccn[nH]5 −11.7 ± 0.2
657 EN300-360158_1_2 molecule CC1(C[C@](CO1)(CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)C −11.7 ± 0.3
658 EN300-249804_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC(=O)N5 −11.7 ± 0.2
659 EN300-6759972_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](CC5)NC(=O)N −11.7 ± 0.3
660 EN300-50514_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5ccc(cc5)CC(=O)N −11.7 ± 0.3
661 VLA-UCB-50c39ae8-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl −11.7 ± 0.2
662 EN300-321597_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H](C5)O −11.7 ± 0.3
663 EN300-111863_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnc(n5)C#N −11.7 ± 0.3
664 MAK-UNK-3875bbc8-2_1 molecule CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.65 ± 0.08
665 EN300-53591_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)NC(=O)N −11.6 ± 0.3
666 EN300-214800_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCNC5=O −11.6 ± 0.3
667 EN300-114082_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)C#N −11.6 ± 0.3
668 EN300-215465_1_1 molecule CCn1ncc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.2
669 EN300-6487755_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]6C[C@@H](C5)[C@@H]([C@@H](C6)O)O −11.6 ± 0.5
670 EN300-259187_3_2 molecule CCN1C[C@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.4
671 EN300-151298_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cnc5)n6ccnn6 −11.6 ± 0.3
672 EN300-51350_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6nncn6C5 −11.6 ± 0.3
673 EN300-18928_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CSCN5C(=O)C6CC6 −11.6 ± 0.3
674 EN300-6482296_3_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CO[C@H]6[C@H]5COC6 −11.6 ± 0.3
675 EN300-1091448_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5(CO)CO −11.6 ± 0.3
676 EN300-247951_3_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.6 ± 0.2
677 EN300-203293_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CNC(=O)O5 −11.6 ± 0.2
678 EN300-6744028_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC6CC5[C@@H]([C@@H]6O)O −11.6 ± 0.3
679 EN300-60033_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC[C@@H]5CCCO5 −11.6 ± 0.3
680 EN300-300217_1_1 molecule C/C=C\[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.6 ± 0.3
681 EN300-257945_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[C@@H]5COC6 −11.6 ± 0.2
682 EN300-304695_1_2 molecule CN1CCCC[C@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
683 EN300-6488157_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5cnn6 −11.6 ± 0.2
684 EN300-101197_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]cnn5 −11.6 ± 0.2
685 EN300-222620_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cc(cnc5)O −11.6 ± 0.4
686 EN300-7447185_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@]6(C5)NC(=O)OC6)cc1 −11.6 ± 0.4
687 EN300-2908024_1_2 molecule CC[C@](C)(C(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.6 ± 0.4
688 EN300-6764836_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC6[C@@H]([C@H](C5O6)O)O −11.6 ± 0.3
689 EN300-177118_3_2 molecule C[C@]1(CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
690 EN300-52380_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CC(=O)N −11.6 ± 0.3
691 EN300-128463_4_1 molecule CNC(=O)CC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.6 ± 0.3
692 EN300-7443878_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CCOCC5)O −11.6 ± 0.2
693 EN300-7542429_1_2 molecule C[C@H]1CN(C2(CC2)C(=O)N1)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.6 ± 0.3
694 EN300-7542429_1_2 molecule C[C@H]1CN(C2(CC2)C(=O)N1)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.6 ± 0.3
695 EN300-124301_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5ccnn5 −11.6 ± 0.3
696 EN300-78135_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NC5CC5 −11.6 ± 0.2
697 EN300-85413_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CC(=O)N)C5CC5 −11.6 ± 0.2
698 EN300-746311_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]c6c5c(=O)[nH]cn6 −11.6 ± 0.2
699 EN300-108236_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(nn5)CO −11.6 ± 0.3
700 EN300-102487_1_1 molecule Cn1c(=O)c(c[nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.6 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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