Microstates

Showing 1701 through 1800 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1701 EN300-262745_1_1 molecule CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1702 EN300-1608992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(C#N)C(=O)N −10.9 ± 0.2
1703 EN300-125140_2_1 molecule COCC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1704 EN300-13000_1_1 molecule CN(CC(=O)OC)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1705 EN300-157502_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5OCCCO5 −10.9 ± 0.2
1706 EN300-101796_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)OCCO −10.9 ± 0.4
1707 EN300-50009_1_1 molecule COC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1708 EN300-191904_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCn5cnnn5 −10.9 ± 0.3
1709 EN300-181492_3_2 molecule C=C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.9 ± 0.3
1710 EN300-6082676_1_1 molecule C[C@@H]1C[C@@H](CCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1711 EN300-96362_1_3 molecule C[C@@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O −10.9 ± 0.4
1712 EN300-219496_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCN(C5)S(=O)(=O)N −10.9 ± 0.3
1713 EN300-14437_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCS(=O)(=O)C5 −10.9 ± 0.3
1714 EN300-97300_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5F −10.9 ± 0.2
1715 EN300-19700_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1716 EN300-19700_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1717 EN300-19700_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1718 EN300-10414_1_2 molecule C[C@]1(CCS(=O)(=O)C1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1719 BEN-BAS-5c03e89e-1_2 molecule CC(C)([C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)O −10.9 ± 0.1
1720 EN300-36845_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CCCC5 −10.9 ± 0.3
1721 EN300-6478526_3_1 molecule CNC(=O)N1CCC(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1722 EN300-207765_1_2 molecule CN1[C@H](CCC1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1723 EN300-155362_1_4 molecule C[C@H]1CC(=O)N[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1724 EN300-1709315_1_1 molecule C[C@@]1(CCCNS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
1725 EN300-190283_3_1 molecule Cn1cncc1[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.4
1726 EN300-7353672_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](CC5)O)CO −10.9 ± 0.4
1727 DAR-DIA-0d514e7d-6_1 molecule C[C@H]1COc2c(cc(cc2OC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1728 EN300-41473_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOCC5 −10.9 ± 0.3
1729 VLA-UCB-50c39ae8-9_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl)CCC6CCCCC6 −10.9 ± 0.5
1730 EN300-20496_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCOC5=O −10.9 ± 0.2
1731 EN300-370280_3_1 molecule C[C@]1(CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1732 EN300-04614_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)[nH]n5 −10.9 ± 0.2
1733 EN300-14006_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCS(=O)(=O)C5 −10.9 ± 0.4
1734 EN300-145616_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5cnc[nH]5 −10.9 ± 0.4
1735 EN300-52983_1_1 molecule CN1C[C@@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1736 EN300-25702_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)O −10.9 ± 0.2
1737 EN300-23317_4_2 molecule C[C@H](C(=O)NCCOC)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.4
1738 EN300-31553_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCS(=O)(=O)N −10.9 ± 0.2
1739 EN300-195590_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCNC(=O)C5 −10.9 ± 0.3
1740 EN300-102347_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5(COC5)CO −10.9 ± 0.2
1741 EN300-1707774_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)OC(=O)N −10.9 ± 0.2
1742 EN300-18564_1_1 molecule CC(=O)NCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1743 EN300-250593_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5CC(=O)N5 −10.9 ± 0.3
1744 EN300-6238494_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5COCCO5 −10.9 ± 0.3
1745 EN300-74089_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCOCC5)C#N −10.9 ± 0.3
1746 EN300-6729572_3_1 molecule C[C@@H]([C@@H]1C[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.5
1747 EN300-297561_2_1 molecule CC(C)[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −10.9 ± 0.3
1748 EN300-113507_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(=O)N −10.9 ± 0.2
1749 EN300-718785_1_1 molecule CCN1[C@@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1750 DAR-DIA-5ff57136-15_1 molecule C#CC1(CC1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.9 ± 0.2
1751 EN300-6738732_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56COC[C@H]5C6(F)F −10.9 ± 0.3
1752 EN300-2011083_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)OCC5 −10.9 ± 0.3
1753 EN300-1688974_2_1 molecule C[C@@H](CC(=O)N)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1754 EN300-189563_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCC5CS(=O)(=O)C5 −10.9 ± 0.4
1755 EN300-6238494_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@@H]5COCCO5 −10.9 ± 0.3
1756 EN300-310022_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H](CN5c6ccncn6)O −10.9 ± 0.3
1757 EN300-297451_1_1 molecule CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.9 ± 0.2
1758 EN300-250126_3_2 molecule CC(C)C[C@H](C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1759 EN300-198240_3_1 molecule Cn1cc(cn1)[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −10.9 ± 0.4
1760 EN300-116313_3_1 molecule CC(=O)N1CCOC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
1761 EN300-181558_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC5(CCC(CC5)O)O −10.9 ± 0.2
1762 EN300-144606_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cn[nH]c5S(=O)(=O)N −10.9 ± 0.3
1763 EN300-1081277_1_1 molecule CNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.2
1764 EN300-220194_3_3 molecule C[C@@H]([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −10.9 ± 0.3
1765 EN300-62074_1_2 molecule CC(=O)N[C@H](CCOC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1766 EN300-1911992_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]([C@H]5CCOC5)O −10.9 ± 0.3
1767 EN300-12247_1_1 molecule CC(C)(C)C(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.3
1768 EN300-25865_1_1 molecule Cn1c2c(cn1)c(=O)n(cn2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.9 ± 0.4
1769 EN300-1644723_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@H]6[C@@H]5COCC6 −10.9 ± 0.2
1770 EN300-237561_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5c(=O)cccn5 −10.9 ± 0.4
1771 EN300-104746_3_2 molecule CC[C@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.9 ± 0.3
1772 EN300-91609_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@H]5C6 −10.9 ± 0.3
1773 EN300-315453_1_1 molecule Cc1cncn1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1774 EN300-393148_3_1 molecule CN1[C@@H](CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.4
1775 EN300-01527_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@H]5CCCO5 −10.9 ± 0.3
1776 EN300-244122_1_1 molecule CC1(CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −10.9 ± 0.3
1777 EN300-1071940_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@]5(CCCOC5)O −10.9 ± 0.3
1778 EN300-706065_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5(CCOCC5)O)(F)F −10.9 ± 0.3
1779 EN300-2910941_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(nn5)C(F)(F)F −10.9 ± 0.3
1780 EN300-118760_1_1 molecule C[C@@](C1CC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.3
1781 EN300-151423_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCOCC5)O −10.9 ± 0.3
1782 EN300-304378_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H](C5)F)O −10.9 ± 0.3
1783 EN300-201553_3_1 molecule Cn1cc(cn1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1784 EN300-201553_3_1 molecule Cn1cc(cn1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1785 EN300-06654_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cncn5 −10.9 ± 0.3
1786 EN300-06654_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cncn5 −10.9 ± 0.3
1787 EN300-42819_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)NC5 −10.9 ± 0.3
1788 EN300-266736_2_1 molecule Cc1c(nc[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.2
1789 EN300-58880_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)C(=O)N −10.9 ± 0.2
1790 EN300-331828_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5COC[C@H]5O −10.9 ± 0.3
1791 EN300-1296824_1_1 molecule C[C@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(COC)O −10.9 ± 0.3
1792 EN300-132624_3_1 molecule CCC(=O)CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.9 ± 0.4
1793 EN300-158260_3_1 molecule CC(=O)N1C[C@@H](C[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.9 ± 0.4
1794 EN300-64247_3_1 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOCC5 −10.9 ± 0.4
1795 EN300-232035_1_1 molecule Cc1cnc2nc(nn2c1)CCC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.9 ± 0.3
1796 EN300-1072972_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCOC5=O −10.9 ± 0.4
1797 EN300-1698981_1_1 molecule Cc1nc(on1)[C@@H](CO)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.5
1798 EN300-85707_1_2 molecule COC[C@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.9 ± 0.3
1799 EN300-1248250_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CN(C5)C(=O)N −10.9 ± 0.2
1800 EN300-67023_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C[C@H]5CCCO5 −10.9 ± 0.5
Last updated 2021-02-11T07:27:27.453800+00:00
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