Microstates

Showing 1901 through 2000 of 11295
Rank Microstate SMILES ΔG / kcal M-1
1901 EN300-248521_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@H](C5)O)CO −10.8 ± 0.3
1902 EN300-341337_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCO[C@H]5CCOC6 −10.8 ± 0.3
1903 EN300-112757_2_1 molecule Cn1cnnc1CCCNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1904 EN300-62448_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)C5CCC5 −10.8 ± 0.3
1905 EN300-96362_1_1 molecule C[C@@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O −10.8 ± 0.3
1906 EN300-6497975_1_1 molecule Cc1c(cnc(n1)CO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1907 EN300-203293_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CNC(=O)O5 −10.8 ± 0.4
1908 EN300-185398_3_2 molecule C[C@H](C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −10.8 ± 0.3
1909 EN300-255791_2_1 molecule CN(C)CCn1ccc(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1910 EN300-125140_1_1 molecule COCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.2
1911 EN300-90293_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c([nH]nn6)C5 −10.8 ± 0.3
1912 EN300-179091_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC(F)F −10.8 ± 0.2
1913 EN300-33478_3_2 molecule CCN1C[C@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1914 EN300-30768_1_2 molecule C[C@H]1C[C@@H]1C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1915 EN300-1719401_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)c5[nH]cnn5 −10.8 ± 0.3
1916 EN300-217343_1_1 molecule Cn1c2c(nn1)CC[C@@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.3
1917 EN300-23317_3_2 molecule C[C@H](C(=O)NCCOC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1918 EN300-222357_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nn5 −10.8 ± 0.2
1919 EN300-121144_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccccc5C(=O)N −10.8 ± 0.3
1920 EN300-77778_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCS(=O)(=O)C5 −10.8 ± 0.3
1921 EN300-7457159_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5cc(on5)C6(COC6)O −10.8 ± 0.4
1922 EN300-67073_1_2 molecule CC(=O)N[C@](C)(C1CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1923 EN300-79022_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cccnn5 −10.8 ± 0.3
1924 EN300-6505003_1_4 molecule C[C@H]1CC[C@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1925 EN300-1600517_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CO)F −10.8 ± 0.3
1926 EN300-185378_3_2 molecule C[C@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.3
1927 EN300-378722_1_1 molecule CN1CC[C@@H](C1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1928 EN300-1707870_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@](C5)(CCO)CO −10.8 ± 0.4
1929 EN300-155362_1_3 molecule C[C@@H]1CC(=O)N[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1930 EN300-741926_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)F)O −10.8 ± 0.3
1931 EN300-99983_4_1 molecule CNC(=O)Cc1nc(on1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1932 EN300-6505003_3_4 molecule C[C@H]1CC[C@H](C(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.5
1933 EN300-30397_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.8 ± 0.3
1934 EN300-30397_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.8 ± 0.3
1935 EN300-1267093_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6C[C@@]6(C5)O −10.8 ± 0.3
1936 EN300-321110_2_1 molecule C[C@@H]1[C@@H](CCS1(=O)=O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1937 EN300-304771_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 −10.8 ± 0.3
1938 EN300-17381_3_1 molecule C[C@@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1939 EN300-17381_3_1 molecule C[C@@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1940 EN300-17381_3_1 molecule C[C@@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1941 EN300-20284_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)O −10.8 ± 0.3
1942 EN300-1592151_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6ncnn6c5 −10.8 ± 0.2
1943 EN300-258702_3_1 molecule Cn1ccc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1944 EN300-258702_3_1 molecule Cn1ccc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1945 EN300-146051_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)CO −10.8 ± 0.3
1946 EN300-14458_2_2 molecule C[C@H](C(=O)N(C)C)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1947 EN300-325738_3_2 molecule CN1[C@H](CCCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1948 EN300-261986_3_2 molecule CS(=O)(=O)N1CC[C@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.5
1949 EN300-261986_3_2 molecule CS(=O)(=O)N1CC[C@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.5
1950 EN300-90142_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC[C@H](C5)C(=O)N −10.8 ± 0.4
1951 EN300-45049_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCS(=O)(=O)N5 −10.8 ± 0.3
1952 EN300-1273016_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCc6n5ncn6 −10.8 ± 0.3
1953 EN300-7429970_1_1 molecule CS(=O)(=O)CC1CC(C1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1954 EN300-125140_4_1 molecule COCC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1955 EN300-6489289_3_2 molecule Cc1nnc2n1[C@H](CC2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.4
1956 EN300-1301381_1_1 molecule COC[C@@]1(CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1957 EN300-10170_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](CO)NC(=O)N −10.8 ± 0.3
1958 EN300-65839_4_2 molecule CC[C@H](C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.4
1959 EN300-5253939_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COC(=O)O5 −10.8 ± 0.2
1960 EN300-313410_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(ncn5)N6CCOCC6 −10.8 ± 0.3
1961 EN300-7459768_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(C5)(C6(CCC6)O)O −10.8 ± 0.4
1962 EN300-395954_1_1 molecule C[C@@]12CN(CCN1C(=O)OC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.4
1963 EN300-126412_1_1 molecule CN(Cc1ncon1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1964 MAK-UNK-8be7dca9-1_1 molecule c1cc2c(cc1CN3CCNCC3)cncc2NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl −10.8 ± 0.1
1965 EN300-132157_3_2 molecule C[C@]1(CC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.4
1966 EN300-182913_1_1 molecule CC(C)(C(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.3
1967 EN300-317082_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5COC5 −10.8 ± 0.2
1968 EN300-92031_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(no5)c6[nH]cnn6 −10.8 ± 0.3
1969 EN300-7355519_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 −10.8 ± 0.3
1970 EN300-53423_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCOC5 −10.8 ± 0.3
1971 EN300-6736413_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCNC5=O −10.8 ± 0.2
1972 EN300-6736413_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCNC5=O −10.8 ± 0.2
1973 EN300-1072874_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCNC(=O)CC5 −10.8 ± 0.4
1974 EN300-86357_1_1 molecule Cn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1975 EN300-262409_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)n6cnnn6 −10.8 ± 0.2
1976 EN300-300217_1_2 molecule C/C=C/[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.8 ± 0.3
1977 EN300-170463_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCOC5 −10.8 ± 0.3
1978 EN300-68203_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCC(=O)N5 −10.8 ± 0.3
1979 EN300-08065_1_1 molecule c1ccc(cc1)c2nnn(n2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.3
1980 EN300-6742996_1_1 molecule COC[C@@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1981 EN300-259694_3_2 molecule CCO[C@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.5
1982 EN300-249421_3_1 molecule C[C@@H]([C@@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.3
1983 EN300-01527_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NC[C@@H]5CCCO5 −10.8 ± 0.4
1984 EN300-97300_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]5F −10.8 ± 0.3
1985 EN300-88417_1_1 molecule Cn1cncc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1986 EN300-188356_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)F −10.8 ± 0.3
1987 EN300-315963_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnoc5 −10.8 ± 0.3
1988 EN300-256583_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CS(=O)(=O)C5 −10.8 ± 0.2
1989 EN300-42536_1_1 molecule Cc1cc([nH]c(=O)n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.8 ± 0.2
1990 EN300-44149_3_1 molecule Cn1c2c(cn1)c(=O)[nH]c(n2)COCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.3
1991 EN300-1707879_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CNC(=O)CC56CCOC6 −10.8 ± 0.3
1992 EN300-7003350_1_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.2
1993 EN300-7003350_1_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.2
1994 EN300-7003350_1_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.8 ± 0.2
1995 EN300-22884_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCNC(=O)C5 −10.8 ± 0.3
1996 EN300-194442_1_2 molecule C[C@]1(CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −10.8 ± 0.4
1997 EN300-13890_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS[C@H]5CCS(=O)(=O)C5 −10.8 ± 0.4
1998 EN300-107435_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCCS5(=O)=O −10.8 ± 0.3
1999 EN300-6729747_3_2 molecule Cc1nnc2n1C[C@H](C2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.8 ± 0.3
2000 EN300-1723663_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCN(C(=O)C5)CCO −10.8 ± 0.3
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