Microstates

Showing 1801 through 1900 of 7698
Rank Microstate SMILES ΔG / kcal M-1
1801 EN300-134855_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](c5cccnc5)O −10.2 ± 0.3
1802 EN300-12440_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N(C5)C6CC6 −10.2 ± 0.3
1803 EN300-19515_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5 −10.2 ± 0.2
1804 EN300-04409_1_1_1 molecule COC(=O)CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1805 EN300-19242_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO −10.2 ± 0.2
1806 EN300-783124_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@H]5CCOC5)F −10.2 ± 0.2
1807 EN300-1296824_1_1_1 molecule C[C@@](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(COC)O −10.2 ± 0.3
1808 MAK-UNK-c749d764-6_3 molecule C[C@@H](C[NH2+]CCCO)[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 −10.2 ± 0.5
1809 EN300-89418_3_1_1 molecule C[C@@](CO)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.2 ± 0.5
1810 EN300-6729572_1_3_1 molecule C[C@@H]([C@H]1C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.2 ± 0.2
1811 DAR-DIA-0d514e7d-6_1 molecule C[C@H]1COc2c(cc(cc2OC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1812 EN300-192482_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5[C@H]6[C@@H]5COC6 −10.2 ± 0.3
1813 EN300-06654_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cncn5 −10.2 ± 0.3
1814 EN300-06654_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cncn5 −10.2 ± 0.3
1815 EN300-28177_1_2_1 molecule C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1816 EN300-53423_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCOC5 −10.2 ± 0.3
1817 EN300-7434334_1_1_1 molecule C[n+]1c[nH]c2c1ncnc2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.2 ± 0.3
1818 VLA-UCB-34f3ed0c-7_1 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C(=O)CN4CC[NH2+]CC4 −10.2 ± 0.4
1819 EN300-120414_1_1_1 molecule C[C@@H]1C[N@@]2CC[N@H+]1C[C@@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.2 ± 0.3
1820 EN300-216063_2_1_1 molecule CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1821 EN300-216063_2_1_1 molecule CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1822 EN300-216063_2_1_1 molecule CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1823 EDG-MED-90036822-50_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnc[nH]5 −10.2 ± 0.3
1824 EN300-130825_3_1_1 molecule CN1[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1825 EN300-62574_1_1_1 molecule Cn1c(nnn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1826 EN300-64536_4_1_1 molecule COCCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.4
1827 EN300-6474220_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(CCn5ccnn5)(F)F −10.2 ± 0.5
1828 EN300-122656_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCSC5)O −10.2 ± 0.4
1829 EN300-97697_2_1_1 molecule CN(C1CC(C1)O)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1830 EN300-101373_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)CO −10.2 ± 0.4
1831 DAR-DIA-0d514e7d-28_1 molecule C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −10.23 ± 0.10
1832 DAR-DIA-9e4459de-15_2 molecule c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O −10.2 ± 0.3
1833 EN300-174668_1_1_1 molecule CO[C@@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1834 EN300-70431_1_1_1 molecule COc1c(c(ncn1)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1835 EN300-97699_1_2_1 molecule C[C@H](CS(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.5
1836 EN300-60831_3_1_1 molecule CS(=O)(=O)C1(CCCC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.6
1837 ALP-UNI-3496895b-9_1 molecule C[N@](C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.2 ± 0.3
1838 EN300-6744028_1_3_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 −10.2 ± 0.3
1839 EN300-35778_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)C(=O)N −10.2 ± 0.3
1840 EN300-206769_1_1_1 molecule CS(=O)(=O)c1ccc(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1841 MAK-UNK-83e0a0b4-2_1_1 molecule c1cc2c(cc1CN3CC[NH2+]CC3)cncc2N(CCNC4C[NH2+]C4)C(=O)[C@@H]5CCOc6c5cc(cc6)Cl −10.2 ± 0.3
1842 EN300-212341_1_1_1 molecule Cn1ccnc1COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1843 EN300-19700_1_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1844 EN300-19700_1_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1845 EN300-19700_1_1_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1846 EN300-160080_2_1_4 molecule CS(=O)(=O)[C@H]1NN[C@H](S1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.5
1847 EN300-1081277_3_1_1 molecule CNC(=O)CCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
1848 EN300-364992_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CC[C@H](O5)C(=O)N −10.2 ± 0.4
1849 EDG-MED-4c68219f-1_3 molecule C[C@@H](CN1C(=O)[C@H](CO1)[NH3+])CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.4
1850 ALP-POS-3b848b35-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](CCC3CCCCC3)c4cccc(c4)Cl −10.2 ± 0.3
1851 EDG-MED-4c68219f-17_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5[nH]ccn5 −10.2 ± 0.2
1852 EN300-300294_1_1_1 molecule CS(=O)(=O)C[C@H]1CCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1853 EN300-107267_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCCNC5=O −10.2 ± 0.2
1854 EN300-260816_1_2_1 molecule CN1CC[C@H](C1=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1855 EN300-250126_3_2_1 molecule CC(C)C[C@H](C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.4
1856 EN300-73772_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5[nH]c(=O)[nH]n5 −10.2 ± 0.2
1857 EN300-246440_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cncn6 −10.2 ± 0.3
1858 EN300-83864_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCC(CC5)S(=O)(=O)N −10.2 ± 0.4
1859 EN300-258477_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.2 ± 0.3
1860 EN300-30458_1_1_1 molecule CN1CC[C@@H](CC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1861 EN300-54541_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)N5 −10.2 ± 0.2
1862 EN300-331941_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5C(=O)N −10.2 ± 0.3
1863 EN300-1387145_1_4_1 molecule CS(=O)(=O)[C@H]1CCC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1864 EN300-252260_1_1_1 molecule COc1cc(cnn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1865 EN300-113218_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CS[C@@H]5CCOC5=O −10.2 ± 0.4
1866 EN300-6238494_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)[C@@H]5COCCO5 −10.2 ± 0.3
1867 EN300-139167_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5COCCO5 −10.2 ± 0.3
1868 EN300-139167_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5COCCO5 −10.2 ± 0.3
1869 EN300-139167_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5COCCO5 −10.2 ± 0.3
1870 EN300-53423_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC5 −10.2 ± 0.3
1871 EN300-83918_1_1_1 molecule CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC −10.2 ± 0.3
1872 EN300-12587_3_1_1 molecule CC(=O)N1CCC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.5
1873 EN300-68889_1_1_1 molecule CCNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
1874 EN300-306047_3_1_1 molecule Cn1cc(nn1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2
1875 DAR-DIA-0d514e7d-18_1 molecule C[C@H]1COc2c(cc(cc2OC(F)(F)F)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1876 EN300-249475_1_1_1 molecule CC(=O)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.2
1877 DAR-DIA-5ff57136-2_1_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −10.2 ± 0.2
1878 EDG-MED-90036822-33_1 molecule CO[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F −10.2 ± 0.2
1879 EN300-7429970_1_1_1 molecule CS(=O)(=O)CC1CC(C1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1880 EN300-226314_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@H]5CCS(=O)(=O)C5 −10.2 ± 0.3
1881 EN300-37195_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@H]5CCCCNC5=O −10.2 ± 0.3
1882 EN300-6744028_3_8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@@H]6C[C@H]5[C@H]([C@H]6O)O −10.2 ± 0.3
1883 EN300-359750_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)O5 −10.2 ± 0.3
1884 EN300-109535_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5CC(=O)OC5 −10.2 ± 0.2
1885 EN300-1911992_2_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]([C@H]5CCOC5)O −10.2 ± 0.3
1886 EN300-96159_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5[nH]ncn5 −10.2 ± 0.3
1887 EN300-7463171_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)CCO −10.2 ± 0.7
1888 EN300-705381_3_1_1 molecule COC[C@H]1C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3
1889 EN300-95094_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CSC5 −10.2 ± 0.2
1890 EN300-97758_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCF −10.2 ± 0.3
1891 EDG-MED-90036822-24_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(COC5)F −10.2 ± 0.3
1892 ED_-GRI-5b13fbe2-9_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](C[NH3+])c5n[n-]nn5 −10.2 ± 0.3
1893 ED_-GRI-5b13fbe2-74_4 molecule C[N@H+]1CCO[C@H](C1)c2nccc(n2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.2 ± 0.4
1894 EN300-2008102_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CN6C[C@H](O5)CCC6=O −10.2 ± 0.3
1895 EDG-MED-ba1ac7b9-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@@H]5c6[nH]ncn6 −10.2 ± 0.3
1896 EN300-01527_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC[C@H]5CCCO5 −10.2 ± 0.3
1897 EN300-7457159_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(on5)C6(COC6)O −10.2 ± 0.3
1898 EDG-MED-90036822-51_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CCF)O −10.2 ± 0.2
1899 EN300-96362_1_4_1 molecule C[C@H]([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O −10.2 ± 0.3
1900 EN300-1608590_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(on5)N6CCOCC6 −10.2 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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