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*9 SC(S)=S     4.226
#10 NC=O     7.815
*11 C[N+]([O-])=O     4.376
*12 NC(S)=S     4.094
*13 N=C1NNN=N1    10.393
*14 NC=N     6.644
*15 ONC=N     9.342
*16 NC(N)=O     9.438
#17 NC(=O)NO    10.266
#18 NC(N)=S     6.801
*19 NNC(S)=S     6.472
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*24 COS(O)(=O)=O     8.090
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*26 CON     5.656
*27 CNO     7.818
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-29 NCS(O)(=O)=O     9.218
#30 NC(S(O)(=O)=O)S(O)(=O)=O    15.983
#31 NNC(N)=O    11.818
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#34 NNC(N)=S     9.180
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*46 OCC#N     5.132
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#50 CSC#N     4.359
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#53 O=C1NNC(=O)N1    11.222
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*67 CC1=NN=NN1     6.171
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*1763 CN1C=NC(=C1NC(N)=N)[N+]([O-])=O    15.121
*1764 NNC1=NC(=C2N=CNC2=N1)NN    17.812
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*1766 CC(C)(O)C#C     5.983
*1767 CC(=O)C1CC1     4.415
*1768 CC=C(C)C=O     4.056
#1769 O[CH]1CCC=C1     5.489
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*1771 OCCCC#C     5.983
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*1773 COC=CC=C     2.140
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*1777 O=C1CCSCC1     6.510
*1778 COC(=S)SCC=C     5.111
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*1787 CC(=O)CC(C)=O     7.478
#1788 O=C1CCCCO1     3.866
#1789 C1OCC=CCO1     4.461
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*1793 CCOC(=O)C=C     3.910
*1796 O=CCCCC=O     6.959
#1798 OC(=O)CCC=C     6.020
#1799 CCC=CC(O)=O     6.221
*1800 C[CH]1CCC(=O)O1     3.866
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#1809 CC(=O)COC(C)=O     6.078
*1810 C=CCOCOC=O     5.433
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*1812 CCOC(=O)C(C)=O     6.033
*1813 COC(=O)CCC(O)=O     8.762
#1814 CC(C)(C(O)=O)C(O)=O    11.144
*1815 C[CH](CC(O)=O)C(O)=O    11.144
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#1817 CCOC(=O)CC(O)=O     8.762
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*1819 O=S1OCC2(CO1)COS(=O)OC2     8.701
#1820 C1C[CH]2S[CH]2C1     3.447
*1821 CC(C)(C)C#N     4.146
*1822 CN(C)CC#C     5.099
#1824 ON=C1CCCC1     5.218
#1825 CN1CCCC1=O     7.500
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#1827 O=C1CCCCN1     7.719
#1828 N[CH]1CCCC1=O     7.102
#1830 CC(=NO)C1CC1     5.218
#1831 CN(C)C(=O)C=C     7.547
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#1837 C[CH]1SCCNC1=O     9.815
#1838 ON=C1CCSCC1     7.312
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*1840 CCSC(=S)NC(C)=O     6.983
#1841 CC(=C)C(=O)NCO    10.830
*1842 CON=C(C)C(C)=O     4.597
*1843 O=CN1CCOCC1     9.296
*1844 CC(=O)C(N)C(C)=O    10.165
#1845 N[CH](CC=C)C(O)=O     8.708
#1846 CCOC(=O)N1CC1     6.951
*1847 C[CH](OC(N)=O)C=C     7.161
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*1851 CC1(C)COC(=O)N1     7.171
#1852 CN(C)C(=S)SCC(O)=O     9.061
#1853 COC(=O)CCSC(N)=S     7.116
#1854 C[CH](OC(C)=O)C(N)=O     9.602
#1855 CCOC(=O)CNC=O     8.674
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*1860 C[CH](NC(C)=O)C(O)=O    11.315
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#1865 C[C](N)(CC(O)=O)C(O)=O    13.833
*1866 CN[CH](CC(O)=O)C(O)=O    13.613
*1867 CC(=O)OC[CH](N)C(O)=O    11.450
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*1870 N[CH](CSCC(O)=O)C(O)=O    15.928
-1871 N[CH](CS(=O)(=O)CC(O)=O)C(O)=O    18.026
-1872 CCCCSC#N     3.987
*1873 CCSCCC#N     6.240
#1874 C[CH]1CN=C(C)S1     4.396
#1875 CC1(C)CNC(=S)S1     4.384
-1876 [N-]=[N+]=NC1CCCC1     3.614
#1877 NCCC1=CNC=N1     9.247
*1878 CCCC1=NNC(=N)O1     8.257
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#1880 CN(C)NC(=O)CC#N    13.030
#1881 CN1CCC(=N)NC1=O    10.169
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*1883 OC(=O)CNC1=NCCN1    13.790
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-1886 NC(=N)N[CH](CC(O)=O)C(O)=O    19.124
*1887 NS(=O)(=O)CC[CH]1NC(=O)NC1=O    13.100
*1888 CCOC(=O)N(CC[N+]([O-])=O)N=O    10.967
#1889 CC(C)([N+]([O-])=O)C(C)([N+]([O-])=O)[N+]([O-])=O    10.369
*1890 CC=CC=NNC(N)=S     6.061
#1891 CC1(C)NC(=S)NC1=N     7.752
*1892 CCC=NC(=S)NC(N)=S     5.089
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*1894 CN(N)C1=C(N)C=NC=N1    13.506
-1895 CC1=NC=NC(=C1N)NN    14.775
-1896 CN1CC(=O)NC(=N)NC1=N    16.785
*1897 NC1=NC(=NC(=N1)N)SCCO    13.530
+1898 CN1C=NC(=C1S(N)(=O)=O)NC(N)=O    15.629
#1899 CC(=C)C1CC1     0.928
-1900 CC(=C)C(C)=C     0.719
*1901 CCCCC#C     1.425
+1902 C1CC1C2CC2     0.951
*1903 C1CCC=CC1     1.179
-1904 N#CCN1CCCC1     7.928
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*1906 C[CH](CC#N)N1CC1     7.928
*1907 C=CCNCCC#N     7.921
-1908 CC(C)=NOCCC#N     5.860
+1910 CC(=O)NC(C)(C)C#N    10.745
-1911 C=CCN(CC=C)N=O     5.450
-1912 N#CCN1CCOCC1     9.983
+1913 C[CH]1CN=C(NC(C)=O)S1    10.996
+1914 CCN=C1SSC(=O)N1CC     6.654
#1915 CC[C]1(C)NC(=O)NC1=O     8.435
*1916 C[CH](CCCC#N)[N+]([O-])=O     7.265
*1917 ON=C1CCCCC1=NO     9.315
*1918 OC1=C2CCCC[N+]2=NO1    13.358
+1919 C[C](O)(CCC(N)=O)C#N    11.582
*1920 C[CH]1NC(=O)[CH](C)NC1=O     8.520
#1921 CN1C(=O)NC(C)(C)C1=O     8.217
#1922 CC1(C)CC(=O)NC(=O)N1     9.735
#1923 C[CH]1CN(C)C(=O)NC1=O     9.517
+1925 NC1=[N+](CCC(O)=O)C=CS1    18.545
+1926 OC(=O)[CH]1CCSCC(=N)N1    12.212
*1927 CC1(C)N(CO)C(=O)NC1=O    11.354
-1928 CCOC(=O)N=NC(=O)OCC     4.752
*1929 COC(=O)[CH](C)C(=O)NC(N)=O    12.467
*1930 C1CN=C(N1)C2=NCCN2    11.376
-1931 C1CCN2N=NN=C2CC1     4.830
-1932 CCNC1=C(N)C=NC=N1    11.975
+1933 CCOC1=CC(=NC(=N1)N)N     9.033
+1934 CN(C)C1=NC(=CC(=N1)O)N    11.218
+1935 NC(=O)C1=C(N)N(CCO)N=C1    18.256
#1936 CN1C(=C(N)C(=O)N(C)C1=O)N    12.914
+1937 CC12NC(=O)NC1(C)NC(=O)N2    15.165
-1938 CN(C)S(=O)(=O)NC1=NC=CC=N1     6.788
-1939 CN1C=NC(=C1S(N)(=O)=O)NC(C)=O    14.143
-1940 COC(=O)NN=CC=NNC(=O)OC     9.495
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-1942 NC(=O)NCOC(=S)SSSC(=S)OCNC(N)=O    23.504
#1943 COC(=O)NNC(=O)C(=O)NNC(=O)OC    19.437
#1944 NC(=O)NC(=O)OCCOC(=O)NC(N)=O    20.780
-1945 NC1=C(C=C(C=C1S(N)(=O)=O)S(N)(=O)=O)S(N)(=O)=O    18.038
-1946 CNC1=CC(=NC(=N1)N)SC     8.492
*1947 CSC1=NC(=C(N)C(=N1)N)SC    12.329
-1948 CN(C)C1=NC(=C(N=O)C(=N1)N)N    12.668
-1949 NC(=O)CCC1=NC(=NC(=N1)N)N    15.924
#1950 CN(C)N=NC1=C(NC=N1)C(N)=O    15.812
-1952 C1CC[CH]2O[CH]2C1     3.783
-1953 O=C1CCCCC1     4.292
#1954 CC(=O)CCC=C     4.063
*1955 C=CCOCC=C     2.827
*1956 CCC=C(C)C=O     3.932
#1957 O=CC1CCCC1     4.032
*1958 CC(C)C=CC=O     4.005
*1959 C[CH]1CCC(=O)C1     4.292
#1960 CC[C](C)(O)C#C     5.863
#1961 CC(C)(O)CC#C     5.863
#1962 CC(C)=CC(C)=O     4.192
+1963 CCOC(=S)SCC=C     4.987
#1965 CC1(C)CCOC1=O     3.742
-1967 CCC(C)=CC(O)=O     6.026
+1968 CCOC(=O)C=CC     3.717
-1969 CCCC(=O)OC=C     2.688
+1970 CCC(=O)OCC=C     3.514
+1971 CC(=O)CCC(C)=O     7.354
#1972 CC(CC=O)CC=O     6.836
-1974 CC(C(C)=O)C(C)=O     7.354
-1975 C=CCOC[CH]1CO1     5.611
#1976 OC[CH]1CCC=CO1     6.593
*1977 CCC(=O)C(=O)CC     6.458
-1978 CCOC(=O)C(C)=C     3.717
*1979 CC[CH]1CCC(=O)O1     3.742
*1980 CCC=CCC(O)=O     5.824
#1981 CCCC(=O)C(C)=O     6.458
+1982 CC(C)C(=O)C(C)=O     6.458
+1983 C[CH]1CCOC(=O)C1     3.742
*1984 CC(C)OC(=O)C=C     3.788
-1985 CCCOC(=O)C=C     3.788
*1986 C[CH]1CCCC(=O)O1     3.742
#1987 CCOC(=O)CC=C     3.514
#1988 CO[CH]1CCC=CO1     3.511
-1989 C=CCOCCC=O     5.860
-1990 C(C[CH]1CO1)[CH]2CO2     5.839
*1991 C1C[CH]2CO[CH](C1)O2     5.538
#1992 C=CCS(=O)(=O)CC=C     4.967
+1993 OC(=O)C1CCOCC1     9.079
+1994 C[CH](O)C(=O)OCC=C     4.321
*1995 CC(=O)CCCC(O)=O     9.188
-1997 COCC(=O)CC(C)=O     8.559
*1999 CC1(C)COC(=O)[CH]1O     4.550
*2001 O[CH](CCCC=O)C=O     7.642
-2002 CCCCOC(=O)C=O     5.650
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-2004 C[CH](CC(C)=O)C(O)=O     9.188
*2005 CC(C)(C)C(=O)C(O)=O     8.292
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*2007 COCCOC(=O)C=C     5.842
*2008 CC(=C)C(=O)OCCO     8.153
*2009 COC(=O)CCC(C)=O     6.804
#2010 CCOC(=O)CC(C)=O     6.804
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#2012 C[CH]1C[CH](O)CC(=O)O1     8.180
#2013 CC1(C)CS(=O)(=O)CC1=O     8.487
#2014 COC(=O)CCSC(C)=O     6.706
*2015 CC(C)OC(=S)SCC(O)=O    10.112
-2016 CCOC(=S)SCCC(O)=O    10.112
#2017 CCC(C)(C(O)=O)C(O)=O    11.021
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#2019 C1OC[CH](O1)[CH]2COCO2     8.747
*2020 OCCOC(=O)OCC=C     7.403
#2021 COC(=O)[CH](C)OC(C)=O     5.407
-2022 C[CH](CCC(O)=O)C(O)=O    11.021
*2023 OC(=O)CCCCC(O)=O    11.021
*2024 CCOC(=O)C(=O)OCC     5.362
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#2026 CC(=O)OCCOC(C)=O     6.256
-2027 CC(CC(O)=O)CC(O)=O    11.021
#2028 C1COC2OCCOC2O1     8.747
-2030 CO[CH]1O[CH](CO)[CH]2O[CH]12    12.530
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#2032 C[CH]([CH](C)C(O)=O)C(O)=O    11.021
*2033 COC(=O)C[CH](S)C(=O)OC     7.706
-2034 OC(=O)CCSCCC(O)=O    13.116
#2035 CCS[CH](CC(O)=O)C(O)=O    13.116
-2036 CC(=O)OCCS(=O)(=O)C=C     7.257
-2037 OC(=O)CCSSCCC(O)=O    12.928
#2038 SCC(=O)OCCOC(=O)CS     9.156
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*2059 C=CCSCC=C     2.870
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#2069 CCCOCCC#N     6.077
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*2072 CC(C)NC(=O)C=C     7.642
#2073 NC(=O)C1CCCC1     7.815
#2074 CN(C)C(=O)C(C)=C     7.351
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#2076 CC1(CCC1)C(N)=O     7.815
*2077 OC[CH](C=C)N1CC1     8.987
*2078 O[CH](CN1CC1)C=C     8.987
#2079 CC1(C)SCCNC1=O     9.690
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*2083 CCOC(=O)C=C(C)N     7.383
*2084 CC(=O)N1CCOCC1     9.433
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*2086 CN(C)CC(=C)C(O)=O     9.650
#2087 C[C]1(CCCN1)C(O)=O     8.593
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*2091 CC(=C)C[CH](N)C(O)=O     8.513
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#2094 COC(=O)N1CCCC1     6.830
#2095 NC1(CCCC1)C(O)=O     8.812
#2096 C[CH]1OC(C)(C)NC1=O     7.500
#2097 C[C](N)(C1CC1)C(O)=O     8.812
*2098 CC(C)N1CCOC1=O     6.830
*2099 CN1CCC[CH]1C(O)=O     8.376
-2100 CCNC(=O)OCC=C     6.821
*2101 SC(=S)OCN1CCOCC1     8.876
#2102 CC(C)[CH](NC=O)C(O)=O    10.932
+2103 CCOC(=O)C(CC)=NO     6.308
*2104 CCCCOC(=O)C(N)=O     9.433
*2105 CCOC(=O)CN(C)C=O     8.333
*2106 CNC(=O)[CH](C)OC(C)=O     9.260
*2107 CCOC(=O)CC(C)=NO     7.607
+2108 CCCCC(=NO)C(O)=O     8.690
#2109 ONC1(CCCC1)C(O)=O    11.511
#2110 COC(=O)CCC(C)=NO     7.607
#2111 CC(=O)NCCCC(O)=O    12.492
+2112 CC(=O)NC(C)(C)C(O)=O    11.192
#2113 CC(=O)N(CCO)C(C)=O    11.213
#2114 CN1C[CH](O)C[CH]1C(O)=O    12.812
*2115 CN(C)C(=O)CCC(O)=O    12.274
#2116 CC(C)(S)[CH](NC=O)C(O)=O    12.383
#2117 CC(=O)N[CH]1CCS(=O)(=O)C1    11.790
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*2119 CCN(CC(O)=O)CC(O)=O    11.971
#2120 CCOC(=O)C(C)(C)[N+]([O-])=O     6.629
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*2124 COC(=O)CC[CH](N)C(O)=O    11.326
*2126 COC(=O)CC[CH](C)[N+]([O-])=O     6.629
*2127 CC[CH](CCC(O)=O)[N+]([O-])=O     9.012
#2128 CCOC(=O)N[CH](C)C(O)=O    10.644
-2129 CCOC(=O)NCCC(O)=O    11.943
*2130 CCOC(=O)CNC(=O)OC     8.261
#2131 C[CH](C[CH](N)C(O)=O)C(O)=O    13.708
*2132 C[CH](CC(O)=O)[CH](N)C(O)=O    13.708
+2133 OC(=O)CCNCCC(O)=O    14.790
-2134 N[CH](CCCC(O)=O)C(O)=O    13.708
#2135 CCC1(COCOC1)[N+]([O-])=O     7.526
#2136 CC(C)(CCC(O)=O)[N+]([O-])=O     9.012
-2137 N[CH](CSCCC(O)=O)C(O)=O    15.804
-2138 CC(C)(CCO[N+]([O-])=O)C(O)=O     8.339
*2139 CC(C)COC(=O)CO[N+]([O-])=O     5.959
#2140 OCCN(CC(O)=O)CC(O)=O    16.409
#2141 CC(C)SCCC#N     6.117
*2142 S=C1CCCCCN1     4.836
*2143 CC(=C)CNC(C)=S     4.536
*2144 CC1=NCC(C)(C)S1     4.272
#2145 CC(C)N1CCSC1=S     4.042
#2146 [N-]=[N+]=NC1CCCCC1     3.491
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-2148 NC(=O)NN=C1CCCC1     8.873
*2149 CC(CCC(O)=O)=NNC(N)=O    13.770
-2150 NCC(=O)NCC(=O)NCC(O)=O    16.103
#2151 NC(=S)NN=C1CCCC1     6.238
#2152 CC(C)CC1=NNC(=N)S1     8.175
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*5456 OC(=O)CN1CCN(CC1)CC(O)=O    15.633
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#12407 CC12CCC(CC1)C(C)(C)N=C(NN=O)S2     8.907
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#12451 CC(C)CC(C)=CCCC(C)=O     3.305
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#12536 CCC(CC)CN[CH]1CCC=C1     4.083
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#12720 CCCCC(O)(CC)CCCC     4.139
#12721 CCCC[C](C)(O)CC(C)(C)C     4.139
#12722 C[CH](CCCCO)CC(C)(C)C     4.139
#12723 CCCC[CH](CC)CC[CH](C)O     4.139
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#12725 CC(C)C(O)(C(C)C)C(C)(C)C     4.139
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#12727 CCCCC(O)(CCC)CCC     4.139
-12728 OCCCCCCCCCCCO     5.777
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#12731 CCOC(CC(OCC)OCC)OCC     7.421
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*12735 CS(=O)(=O)OCCCCCCCCCOS(C)(=O)=O     8.672
#12736 CCCCCCCCCCCS     1.353
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#12738 CC(C)(C)CC(N)CC(C)(C)C     3.889
-12739 CCCCN(CCC)CCCC     3.453
#12740 CCCC[CH](CC)COCCCN     5.943
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#12749 CCCCN(CCCC)CCCN     7.441
*12750 CCCCNCCCNCCCC     7.441
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#12752 CCN(CC)C[CH](O)CNCC(C)C    11.660
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#12769 CC1=C(C#N)C(=O)OC2=C1C=CC=C2     7.614
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#12772 O=C1NC(=S)SC1=CC2=CC3=C(OCO3)C=C2    11.620
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#12774 OC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O    12.183
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#12780 N#CC(C#N)[CH](C#N)C1=CC=CC=C1    12.249
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*12795 [O-][N+](=O)C1=CC=C(O1)C(=O)NC2=CC=CC=C2    11.318
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#12802 N#CC1(C#N)[CH]2CC[CH](C2)C1(C#N)C#N    14.635
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#12814 OC1=NC(=C2NC(=S)N(C3=CC=CC=C3)C2=N1)O    17.181
#12815 OC1=NC(=C2NC(=O)N(C3=CC=CC=C3)C2=N1)S    15.258
#12816 OC1=NC(=C2NC(=O)N(C3=CC=CC=C3)C2=N1)O    19.818
-12817 [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC2=NC=CC=N2    11.033
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#12822 OC(=O)C1=C(N=C(N1)N=NC2=CC=C(C=C2)S(O)(=O)=O)C(O)=O    23.712
#12823 SC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1    11.572
*12824 N1C=NC2=C(SC3=CC=CC=C3)N=CN=C12    10.347
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*12828 SC1=C2N=C(NC3=CC=CC=C3)SC2=NC=N1    12.827
-12829 SC1=NC(=C2NC(=S)N(C3=CC=CC=C3)C2=N1)S     8.062
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#12832 [O-][N+](=O)C1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1    15.815
#12833 [O-][N+](=O)C1=C(NC2=C3N=CNC3=NC=N2)C=CC=C1    14.476
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-12835 C(SC1=C2N=CNC2=NC=N1)SC3=C4N=CNC4=NC=N3    18.162
#12836 O=CC1=C2C=CC=CC2=CC=C1     5.883
*12837 O=CC1=CC2=C(C=CC=C2)C=C1     5.883
*12838 O=C(C1=CC=CS1)C2=CC=CC=C2     5.975
*12839 OC1=CC=C2C=CC=CC2=C1C=O     6.764
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#12841 O=C(C1=CC=CO1)C2=CC=CC=C2     5.712
*12842 OC1=CC2=C(C=CC=C2)C=CC1=O     6.810
*12843 OC(=O)C1=C2C=CC=CC2=CC=C1     7.975
*12844 OC(=O)C1=C2C=CC=CC2=CC=C1O     8.857
*12845 OC(=O)C1=CC=C2C=CC=CC2=C1O     8.857
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*12847 O=C1CC(=CC2=CC=CC=C2)C(=O)O1     6.359
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#12849 O=C(C=CC1=CC=CO1)C2=CC=CO2     6.636
-12850 COC1=CC(=O)C2=C(C=CC=C2)C1=O     8.889
#12851 CC(=O)C1=CC2=C(OC1=O)C=CC=C2     8.532
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*12853 O=C1OCC(=CC2=CC=CC=C2)C1=O     8.067
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#12855 CC(=O)C1=C(O)C2=C(OC1=O)C=CC=C2    12.069
#12856 O=C1OC[CH](C1=O)C(=O)C2=CC=CC=C2    10.387
*12857 OC(=O)C1=CC2=CC=CC(=C2C=C1O)O    12.842
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-12859 COC1=C2OC(=O)C(=CC2=CC=C1)C(O)=O    11.717
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*12861 OC(=O)C1=CC2=C(C=CC(=C2)S(O)(=O)=O)C=C1O    15.188
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#12863 OC(=O)C1=CC2=CC=CC(=C2C=C1O)S(O)(=O)=O    15.188
-12864 NC(=O)C1=C2C=CC=CC2=CC=C1     9.666
#12865 O=CNC1=C2C=CC=CC2=CC=C1     9.084
#12866 O=CNC1=CC2=C(C=CC=C2)C=C1     9.084
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#12868 COC1=CC2=C(C=O)C=CN=C2C=C1     9.991
-12869 O=C(NC1=CC=CC=C1)C2=CC=CO2     8.914
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*12872 C=CCN1C(=O)C2=C(C=CC=C2)C1=O     7.530
-12873 O=C1C=CC(=O)N1CC2=CC=CC=C2     8.951
#12874 CC1=CC=C(C=C1)N2C(=O)C=CC2=O     7.444
*12875 OC(=O)C1=CC=C(N1)C2=CC=CC=C2    10.854
*12876 OC(=O)C1=CC=CN1C2=CC=CC=C2    12.178
#12877 OC(=O)C=CC1=CNC2=C1C=CC=C2    11.672
#12878 NC(=O)C1=CC2=C(C=CC=C2)C=C1O    10.548
-12879 NC1=CC2=C(C=CC=C2)C=C1C(O)=O    11.427
*12880 CC(C1=CC=CC=C1)=C(C#N)C(O)=O    10.345
*12881 CC1=C(C=CC=C1)N2C(=O)C=CC2=O     7.444
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*12885 COC1=CC=C(C=C1)C=C2SC(=S)NC2=O     9.914
#12886 OC(=O)COC1=C2N=CC=CC2=CC=C1    11.670
*12887 O=C1N(C[CH]2CO2)C(=O)C3=C1C=CC=C3    10.313
#12888 O=C[CH]1N=C(CC2=CC=CC=C2)OC1=O     8.121
#12889 COC1=CC=C2C=CC=CC2=C1[N+]([O-])=O     6.910
-12890 ONC(=O)OC1=C2C=CC=CC2=CC=C1    11.544
*12892 COC1=CC=C(C=C1)C=C(C#N)C(O)=O    11.767
*12893 CC(=O)CN1C(=O)C2=C(C=CC=C2)C1=O     9.521
-12894 OC(=O)NC1=CC2=C(C=CC=C2)C=C1O    15.159
-12895 COC1=CC=C(C=C1)N2C(=O)C=CC2=O     8.714
#12896 O=C1CCC(=O)N1C(=O)C2=CC=CC=C2    10.788
*12897 COC1=CC=C(C=C1)N=C2OC(=O)C=C2     7.327
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*12899 COC1=C(O)C=CC(=C1)C=C2SC(=S)NC2=O    13.896
-12900 O=C1C[CH](NC(=O)C2=CC=CC=C2)C(=O)O1    10.684
*12901 C[CH](N1C(=O)C2=CC=CC=C2C1=O)C(O)=O    11.355
#12902 [O-][N+](=O)C1=CC(=CC=C1)C=C2CCOC2=O     7.947
*12903 OC(=O)C1=C(C=CC=C1)C(=O)OCCC#N    12.415
*12904 CC(=O)CN1C(=O)OC2=C(C=CC=C2)C1=O     8.701
*12905 COC(=O)CC1=C(SC2=C1C=CC=C2)[N+]([O-])=O     8.529
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-12907 OC(=O)C=CC(=O)NC1=CC=C(C=C1)C(O)=O    18.513
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-12909 OS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CO2)C=C1    15.245
*12910 OC(=O)[CH]1CC(=O)O[CH]1C2=CC=CC(=C2)[N+]([O-])=O    12.614
-12911 NC(=S)C1=CC2=C(C=CC=C2)C=C1     7.417
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*12914 NC(=S)NN=C1C=CC(=O)C2=C1C(=CC=C2O)O    15.635
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#12918 CNC(=O)OC1=C2C=CCC2=C(C=C1[N+]([O-])=O)[N+]([O-])=O    12.833
#12919 NC1=C2C=NN(C3=CC=CC=C3)C2=NC=N1    15.600
#12920 CC1=CC(=C(C#N)C2=C(C#N)C(=N)NN12)C    13.249
#12921 NC1=C2N=CNC2=NC(=N1)C3=CC=CC=C3    14.268
#12922 CC1=NC2=C(C#N)C(=NN2C(=C1)C)CC#N    13.305
-12923 NC1=CC=C(OC2=C3N=CNC3=NC=N2)C=C1    13.854
*12924 OC1=CC=C(NC2=C3N=CNC3=NC=N2)C=C1    17.395
#12925 CC(=O)NC1=CC=C(C=C1)N=NC(C#N)C#N    16.939
#12926 NC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)O    16.026
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*12931 NC1=NC(=C2N=CN(C3=CC=CC=C3)C2=N1)S    11.467
#12932 C(SC1=C2N=NNC2=NC=N1)C3=CC=CC=C3    11.138
*12933 C(SC1=C2N=CNC2=NC=N1)C3=CC=CC=N3    13.623
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#12935 C(SC1=C2N=CNC2=NC=N1)C3=CC=CN=C3    13.623
*12936 C(SC1=C2N=CNC2=NC=N1)C3=CC=NC=C3    13.623
*12937 N1C=NC2=C(NN=CC3=CC=CN=C3)N=CN=C12    16.703
*12938 NC1=C2N=C(NC2=NC=N1)N=NC3=CC=C(C=C3)S(O)(=O)=O    22.048
*12939 NC1=NC(=C2N=C(NC2=N1)N=NC3=CC=C(C=C3)S(O)(=O)=O)O    22.481
-12940 C1CC2=C3C1=CC=CC3=CC=C2     3.550
-12941 C1=CC=C(C=C1)C2=CC=CC=C2     3.383
-12942 C1=CC=C(C=C1)N=NC2=CC=CC=C2     4.833
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*12944 C1=NC=CC(=C1)C=CC2=CC=NC=C2     9.674
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#12946 NC1=CC2=C(NC3=CC=CC=C23)C=C1    10.003
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#12949 O=C(NC1=CC=CC=N1)C2=CC=CC=C2    11.796
#12950 OC1=CC=C(C=C1)N=NC2=CC=CC=C2     8.815
*12951 O=C(NC1=CC=CC=C1)C2=CC=NC=C2    11.796
#12952 O=NC1=CC=C(NC2=CC=CC=C2)C=C1     7.959
#12953 OC1=CC=C(C=C1)C=CC2=CN=CC=N2    11.157
-12954 O=C(CC1=CC=CC=N1)C2=CC=NC=C2    11.866
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#15003 CCCCCCCCCCCCS     1.229
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*21999 O=C(CCSCCC(=O)NN=C1CCSCC1)NN=C2CCSCC2    16.358
-22000 CCCCCCCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C    10.812
*22001 C[CH]1C[CH](C)C(=NNC(N)=S)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2    16.277
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#22003 CCC1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C     5.261
#22004 CC1=CC(=C(O)C(=C1)C)C(C)(C)CC(C)(C)C     5.261
*22005 CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C     5.261
#22006 CC(=O)[CH]1CC2=C(CCCC2(C)C)CC1(C)C     3.328
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#22105 O=C1CCCCCCCCCCCCCCCO1     2.511
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#22121 OC(=O)CCCCCCCCCCCCCCC(O)=O     9.790
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#22123 CCCCCCCCCCCCCCCC#N     2.793
#22124 CCCCCC#CCN(CCCC)CCCC     4.042
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#23335 CCCCCCCCCCCC[N+]1=CC=CC=C1     8.470
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#23342 CCCCCCC(CCCCCC)(C#N)C(=O)OCC     5.539
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#23346 CCOC(=O)C1=C(C)N(CNC(C)C)C(=C1C)CNC(C)C    12.452
#23347 CCCC[CH](CC)COC(=N)N(CC(C)=C)CC(C)=C     6.403
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#23351 CCN(CC)CCNC1=NC(=C2C=NNC2=N1)NCCN(CC)CC    18.251
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#23355 CCCCCCCC[CH]1C[CH](C)CC[CH]1OC(C)=O     2.389
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#23363 CC(C)(C)CCCC(CCCC(C)(C)C)(C(O)=O)C(O)=O     9.668
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#23367 CCCCCCCCCCCCCCCCC#N     2.670
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#23374 CCCCCCCCCC1=NC(C)(C)CN1C(C)C     4.375
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*23376 CCN(CC)CCC[CH](C)N1C[CH]2CCCC[CH]2C1     6.979
#23377 CCCCCCCCCC1=NC(C)(C)CN1C[CH](C)O     8.812
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#23381 CCN(CC)C(=O)CCCCCCCC(=O)N(CC)CC     8.975
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#23383 CC[CH](C)C(CC)(C(=O)N(CC)CC)C(=O)N(CC)CC     8.975
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#23385 CCCCCCCCC(=O)CCCCCCCC     2.582
*23386 CCCCCCCCCCCCCCCCC(O)=O     4.416
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#23389 CCCCCC(=O)O[CH](C)CC[CH](CC)CCCC     2.033
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*23399 CC(C)CO[CH]1OCCC[CH]1[CH](OCC(C)C)C(C)C     5.883
#23400 CCCCCCS(=O)(=O)CCCCCCCCCCC(O)=O     8.611
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*23410 CC[N+](C)(CC)CCC[N+]1(C)C[CH]2CC=CC[CH]2C1    17.562
#23411 CCCCN(CCCC)C(=O)N(CCCC)CCCC     6.595
#23412 CC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CC(C)(C)C     7.032
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#23414 CCCCCCCCN(CCCCCCCC)C(N)=O     7.032
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#23417 CCCCCCCCCCCCCCCCSC(N)=N     6.770
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*23419 CCCCCCCCCCCCSC(NCC)=NCC     6.333
#23420 CCCCN(CCCC)C(=S)N(CCCC)CCCC     3.959
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-23423 CCCCCCCCC(OCCCC)OCCCC     2.573
#23424 CCCCCCCCCCCCCCOC[CH](O)CO     7.093
*23425 CCCCCCCCCCCCCCC[CH](O)CS(O)(=O)=O    10.368
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*23427 CCCCCCCCC(N)CCCCCCCC     3.152
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*23430 C[N+]1(CCCCCC1)CCC[N+]2(C)CCCCCC2    17.507
#23431 CC[N+](C)(CC)CCC[N+]1(C)C[CH]2CCCC[CH]2C1    17.507
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*25538 COC(=O)CCCCCCCC[C]1(C)CC=C(C=C1)[CH](C)O     6.708
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*25574 CCC[CH](C1CCCC1)C(=O)OC[CH](C)N2CCCC2(C)C     6.049
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#25690 OC1=C(N=NC2=CC=CC=C2)C3=C(C=CC=C3)C4=CC=CC=C14    10.836
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*25693 OC1=C(N=NC2=C3C=CC=CC3=CC=C2)C4=C(C=CC=C4)C=C1    10.836
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