Microstates

Showing 3601 through 3700 of 11295
Rank Microstate SMILES ΔG / kcal M-1
3601 EN300-315836_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5[nH]ccn5 −10.1 ± 0.3
3602 EN300-315836_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5[nH]ccn5 −10.1 ± 0.3
3603 EN300-6479892_1_1 molecule CN1C(=O)COC12CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.3
3604 EN300-60862_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C(=O)N −10.1 ± 0.3
3605 EN300-175186_2_1 molecule C[C@@H](CO)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
3606 EN300-219802_2_1 molecule Cn1cnc2c1c(cc(=O)[nH]2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.3
3607 EN300-6486855_3_1 molecule Cn1c(cnn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3608 EN300-6486855_3_1 molecule Cn1c(cnn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3609 EN300-37529_1_1 molecule Cc1cc(n2c(n1)nc(n2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C −10.1 ± 0.3
3610 EN300-62074_3_2 molecule CC(=O)N[C@H](CCOC)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3611 EN300-07879_4_1 molecule CSCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3612 EN300-44821_4_1 molecule C=CCOCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3613 EN300-40947_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C −10.1 ± 0.4
3614 EN300-7459545_2_2 molecule CN(C)C[C@](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −10.1 ± 0.5
3615 EN300-1627945_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CO[C@@H]5CCCOC5 −10.1 ± 0.4
3616 EN300-1073320_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5(CCC5)O)O −10.1 ± 0.3
3617 EN300-7351945_1_2 molecule CC1(C[C@H](CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.1 ± 0.3
3618 EN300-7493296_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H]5COC6 −10.1 ± 0.3
3619 EN300-1699871_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCS(=O)(=O)N5 −10.1 ± 0.3
3620 EN300-154168_1_1 molecule COCCN1CCCN(CC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3621 EN300-31147_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCNC(=O)C5CC5 −10.1 ± 0.4
3622 EN300-100180_3_1 molecule CC(=O)N1CC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3623 EN300-1588613_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCN6[C@@H]5COCC6 −10.1 ± 0.4
3624 EN300-129455_2_1 molecule CCNC(=O)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3625 EN300-1721883_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CC5)n6ccnn6 −10.1 ± 0.3
3626 EN300-1268016_1_15 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 −10.1 ± 0.3
3627 EN300-19392_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCO −10.1 ± 0.3
3628 EN300-1272704_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCO[C@@H]5c6[nH]cnn6 −10.1 ± 0.4
3629 EN300-1723498_4_1 molecule CCc1c(non1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3630 EN300-332606_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCC(=O)O5 −10.1 ± 0.3
3631 EN300-212365_1_1 molecule Cn1cnnc1CN(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3632 EN300-97699_3_1 molecule C[C@@H](CS(=O)(=O)C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3633 EN300-182084_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)c5cscn5 −10.1 ± 0.3
3634 EN300-6504498_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)n6cncn6 −10.1 ± 0.3
3635 EN300-6729572_4_5 molecule C[C@@H]([C@@H]1C[C@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
3636 EN300-311920_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCS(=O)(=O)C5)F −10.1 ± 0.3
3637 EN300-22880_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC[C@@H](C5)C(=O)N −10.1 ± 0.4
3638 EN300-244744_3_1 molecule Cn1ncc(n1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3639 EN300-30458_4_2 molecule CN1CC[C@H](CC1=O)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4
3640 EN300-6482296_4_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CO[C@@H]6[C@H]5COC6 −10.1 ± 0.5
3641 EN300-201346_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COC(=O)N5 −10.1 ± 0.2
3642 EN300-13252_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCCNC(=O)N −10.1 ± 0.4
3643 EN300-255086_2_1 molecule CN(C)CCn1cc(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
3644 EN300-3710141_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCCO5)C#N −10.1 ± 0.3
3645 EN300-10414_3_2 molecule C[C@]1(CCS(=O)(=O)C1)NC(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.5
3646 EN300-194172_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CC(=O)N −10.1 ± 0.3
3647 EN300-76382_3_1 molecule CCNC(=O)NC(C)(C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.5
3648 EN300-22879_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCCC[C@@H]5C(=O)N −10.1 ± 0.4
3649 EN300-6498856_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[C@@H]5C(=O)NC(=O)N5 −10.1 ± 0.3
3650 EN300-331593_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CC(=O)N[C@H]5C[C@H](C5)CO)cc1 −10.1 ± 0.3
3651 EN300-50639_1_1 molecule C[C@@H](C(=O)N(C)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cccn5 −10.1 ± 0.3
3652 EN300-1700143_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)c6ncon6 −10.1 ± 0.3
3653 EN300-31998_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c[nH]nn5 −10.1 ± 0.2
3654 EN300-42269_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnns5 −10.1 ± 0.3
3655 EN300-37077_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccn[nH]5 −10.1 ± 0.3
3656 EN300-02015_2_1 molecule COCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.4
3657 EN300-18569_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.1 ± 0.3
3658 EN300-6486576_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc(o5)N6CCOCC6 −10.1 ± 0.3
3659 EN300-198240_3_2 molecule Cn1cc(cn1)[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −10.1 ± 0.3
3660 EN300-211482_4_2 molecule C[C@H](C(=O)NC)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3661 EN300-211482_4_2 molecule C[C@H](C(=O)NC)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
3662 EN300-172020_1_2 molecule Cn1cc(cn1)C[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
3663 EN300-134204_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCc5[nH]nnn5 −10.0 ± 0.3
3664 EN300-122319_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(=O)[nH]c(=O)[nH]n5 −10.0 ± 0.2
3665 EN300-7352736_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@@H]([C@@H](CO5)O)O −10.0 ± 0.3
3666 EN300-248888_3_2 molecule C[C@](C=C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.4
3667 EN300-252260_1_1 molecule COc1cc(cnn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
3668 EN300-128715_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC(=O)NCC(F)(F)F −10.0 ± 0.3
3669 EN300-6489289_3_1 molecule Cc1nnc2n1[C@@H](CC2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.0 ± 0.4
3670 EN300-107493_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCNC(=O)C5 −10.0 ± 0.3
3671 EN300-365791_1_1 molecule C[C@H](C1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
3672 EN300-198515_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −10.0 ± 0.3
3673 EN300-1270299_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)CO −10.0 ± 0.3
3674 EN300-122656_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCSC5)O −10.0 ± 0.4
3675 EN300-316216_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCn5cncn5 −10.0 ± 0.4
3676 EN300-316216_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCn5cncn5 −10.0 ± 0.4
3677 EN300-52983_3_1 molecule CN1C[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3678 EN300-261859_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(=O)[nH]sn5 −10.0 ± 0.2
3679 EN300-107493_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCNC(=O)C5 −10.0 ± 0.3
3680 EN300-110423_2_1 molecule Cc1c(c(=O)[nH]o1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
3681 EN300-178876_2_2 molecule C[C@]1(CCCNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
3682 EN300-257945_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@H]6[C@@H]5COC6 −10.0 ± 0.3
3683 EN300-1299691_1_2 molecule CC(C)OC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.0 ± 0.3
3684 EN300-125379_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOCC56CCOC6 −10.0 ± 0.3
3685 EN300-96001_1_1 molecule CC(C)(C)[C@@H](C(=O)N)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
3686 EN300-187385_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5ccc(=O)[nH]c5 −10.0 ± 0.3
3687 EN300-360157_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@]5(CCOC5)O −10.0 ± 0.3
3688 EN300-1709202_2_1 molecule COC[C@@H](C1(CC1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.5
3689 EN300-73967_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCS(=O)(=O)CC5)C#N −10.0 ± 0.3
3690 EN300-73102_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCOCC5 −10.0 ± 0.4
3691 EN300-6503702_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C56CCC(C5)S(=O)(=O)CC6 −10.0 ± 0.3
3692 EN300-86282_1_1 molecule C[C@@H](CO)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
3693 EN300-114133_3_2 molecule CCC(=O)N1CC[C@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.6
3694 EN300-104088_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)OCCO −10.0 ± 0.4
3695 EN300-6746890_1_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@@](C5)(F)CO)cc1 −10.0 ± 0.3
3696 EN300-7370063_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CO −10.0 ± 0.2
3697 EN300-7370063_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CO −10.0 ± 0.2
3698 EN300-44873_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCN5CCCS5(=O)=O −10.0 ± 0.6
3699 EN300-7463275_1_1 molecule C[C@@H]([C@@H]1C[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
3700 EN300-7456641_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c(nn5)CCOC6 −10.0 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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