Add valid_data.csv
Browse files- valid_data.csv +684 -0
valid_data.csv
ADDED
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@@ -0,0 +1,684 @@
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| 1 |
+
smiles,u0_atom
|
| 2 |
+
[H]OC1([H])C([H])([H])C1(O[H])C([H])([H])[H],-1353.17
|
| 3 |
+
[H][N][C]([H])N1C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1101.34
|
| 4 |
+
[H]C#CC1C([H])=NN([H])C=1[H],-1465.07
|
| 5 |
+
[H]N([H])C(=NC([H])([H])[H])C(=O)C([H])([H])[H],-1486.63
|
| 6 |
+
[H]C#CC([H])(O[H])C([H])=C([H])C([H])([H])[H],-1547.75
|
| 7 |
+
[H]C#CC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1684.45
|
| 8 |
+
[H]N=C(N([H])O[H])C([H])([H])C([H])([H])C([H])([H])[H],-1580.76
|
| 9 |
+
[H]N(C([H])([H])C#CC([H])([H])[H])C([H])([H])C([H])([H])[H],-1762.25
|
| 10 |
+
[H]N(C([H])([H])[H])C([H])(C#N)C#N,-1260.42
|
| 11 |
+
[H]OC1=C([H])SC(=C1[H])C([H])([H])[H],-1249.91
|
| 12 |
+
[H]OC(=O)C1([H])N([H])C1([H])C([H])([H])[H],-1414.88
|
| 13 |
+
[H]ON=C(C([H])=C([H])[H])C([H])([H])N([H])[H],-1329.87
|
| 14 |
+
[H][C]([H])[N]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1774.05
|
| 15 |
+
[H]N=C([H])N([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1660.55
|
| 16 |
+
[H]N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1471.15
|
| 17 |
+
[H]OC1(C#N)C([H])([H])N([H])C1([H])[H],-1320.68
|
| 18 |
+
[H][N][C]1OC([H])([H])C(=C([H])[H])N1[H],-1351.03
|
| 19 |
+
[H]C1=C([H])C(OC1([H])[H])(C([H])([H])[H])C([H])([H])[H],-1722.74
|
| 20 |
+
[H]C([H])([H])C([H])([H])C#CC1([H])C([H])([H])C1([H])[H],-1750.87
|
| 21 |
+
[H]C(=O)C([H])=C(C#N)N([H])[H],-1283.59
|
| 22 |
+
[H]C1=NOC([H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1575.73
|
| 23 |
+
[H]C([H])=C([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1914.15
|
| 24 |
+
[H][C]([N]N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1777.79
|
| 25 |
+
[H]C(=O)C([H])([H])C([H])=C([H])C([H])([H])[H],-1423.2
|
| 26 |
+
[H]C(=O)C(=O)N1C([H])([H])C1([H])[H],-2190.69
|
| 27 |
+
[H][C]([H])[N]N([H])C([H])([H])C([H])([H])C([H])=O,-1444.04
|
| 28 |
+
[H]C([H])([H])C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1848.14
|
| 29 |
+
[H]N([H])C([H])([H])C1([H])N([H])C([H])([H])C1([H])[H],-1488.22
|
| 30 |
+
[H]C([H])=C(C#CC([H])([H])N([H])[H])C([H])([H])[H],-1362.88
|
| 31 |
+
[H]C#CC([H])([H])N([H])[C]([H])[N]C([H])([H])[H],-1498.16
|
| 32 |
+
[H]N=C1N([H])C([H])([H])C([H])=C([H])C1([H])[H],-1543.11
|
| 33 |
+
[H]OC12C([H])([H])C([H])([H])C([H])(C1([H])[H])C2([H])[H],-1717.38
|
| 34 |
+
[H]C#CC(=O)C1([H])C([H])([H])C1([H])[H],-1414.02
|
| 35 |
+
[H]OC1([H])C([H])=C([H])C([H])(N([H])[H])C1([H])[H],-1596.76
|
| 36 |
+
[H][C]([H])[N][N][C](OC([H])([H])[H])C([H])([H])[H],-1449.71
|
| 37 |
+
[H][C]([H])[N]OC([H])([H])C([H])([H])N([H])C([H])([H])[H],-1556.97
|
| 38 |
+
[H]N=C([H])N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1804.98
|
| 39 |
+
[H]ON(C(=NC([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1568.06
|
| 40 |
+
[H]C1C(=NSC=1C([H])([H])[H])C([H])([H])[H],-1327.94
|
| 41 |
+
[H]C#CC1=C([H])C([H])([H])OC1([H])[H],-1421.13
|
| 42 |
+
[H]N([H])C1([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1220.58
|
| 43 |
+
[H]C#CC([H])([H])N([H])C([H])([H])C([H])=C([H])[H],-1609.93
|
| 44 |
+
[H]C#CC1(N([H])[H])C([H])([H])OC1([H])[H],-1410.16
|
| 45 |
+
[H]C#CC([H])([C]([H])[N]O[H])N([H])[H],-1707.16
|
| 46 |
+
[H]OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1696.16
|
| 47 |
+
[H][N][C]([H])N1C(=O)C([H])([H])C1([H])[H],-1329.81
|
| 48 |
+
[H]C1([H])OC2([H])C([H])([H])C([H])([H])C([H])([H])C12[H],-1681.51
|
| 49 |
+
[H]C(C#N)=C([H])C(=O)C([H])([H])[H],-1334.61
|
| 50 |
+
[H]C(OC([H])=C([H])C([H])([H])[H])=C([H])C([H])([H])[H],-1705.93
|
| 51 |
+
[H]C#CC([H])([H])C([H])(O[H])C([H])([H])N([H])[H],-1552.34
|
| 52 |
+
[H]N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1768.13
|
| 53 |
+
[H]C1=NN=C(OC1([H])[H])C([H])([H])[H],-1320.98
|
| 54 |
+
[H]N=C1SN([H])C(=C1[H])C([H])([H])[H],-1254.55
|
| 55 |
+
[H]OC(C([H])([H])[H])(C([H])([H])N([H])[H])C([H])([H])N([H])[H],-1739.78
|
| 56 |
+
[H]N([H])C([H])([H])C1([H])N([H])C1([H])C([H])([H])[H],-1490.75
|
| 57 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1846.64
|
| 58 |
+
[H]C([H])=C([H])C([H])(N([H])[H])C([H])([H])[H],-1325.98
|
| 59 |
+
[H]C1SC(=O)N([H])C=1C([H])([H])[H],-1327.62
|
| 60 |
+
[H]OC1([H])C([H])(O[H])C1(N([H])[H])C([H])([H])[H],-1517.83
|
| 61 |
+
[H]C1=NOC(=C1[H])C([H])([H])[H],-1163.99
|
| 62 |
+
[H]C(=O)C([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1442.18
|
| 63 |
+
[H]OC1=C([H])C([H])=C(N([H])[H])N1[H],-1350.18
|
| 64 |
+
[H]C(C#CC([H])([H])[H])=C([H])C([H])([H])C([H])([H])[H],-1758.48
|
| 65 |
+
[H]OC([H])(C([H])=O)C(=C([H])[H])C([H])([H])[H],-1522.31
|
| 66 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])=C([H])[H],-1847.05
|
| 67 |
+
[H]N=C(N([H])C([H])([H])C([H])([H])[H])C([H])([H])O[H],-1610.32
|
| 68 |
+
[H]C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1861.2
|
| 69 |
+
[H]C([H])([H])OC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1775.04
|
| 70 |
+
[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H],-1559.48
|
| 71 |
+
[H]N(N1C(=O)C([H])([H])C1([H])[H])C([H])([H])[H],-1456.7
|
| 72 |
+
[H]N([H])C([H])([H])C1(N(C([H])([H])[H])C1([H])[H])C([H])([H])[H],-1778.08
|
| 73 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])[H],-1254.7
|
| 74 |
+
[H]C([H])=C([H])C1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1777.48
|
| 75 |
+
[H]OC1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1430.36
|
| 76 |
+
[H]C(=O)C1([H])C([H])([H])C1([H])C([H])=O,-1389.47
|
| 77 |
+
[H]OC(=O)C([H])([H])C([H])=C([H])C([H])([H])[H],-1544.94
|
| 78 |
+
[H]N(C([H])([H])[H])C1([H])C([H])([H])OC([H])([H])C1([H])[H],-1724.69
|
| 79 |
+
[H][C]([C][C](C)C)C([H])([H])C([H])([H])[H],-1249.8
|
| 80 |
+
[H]C([H])([H])ON=C(C([H])([H])[H])C([H])([H])[H],-1405.97
|
| 81 |
+
[H]C1([H])C([H])([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1615.66
|
| 82 |
+
[H]OC([H])([H])C#CC1([H])C([H])([H])C1([H])[H],-1547.4
|
| 83 |
+
[H]OC([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])[H],-1643.55
|
| 84 |
+
[H]C([H])=C([H])C1([H])C(=O)OC1([H])[H],-1393.33
|
| 85 |
+
[H]C([H])=C([H])C([H])([H])C#CC([H])([H])C([H])([H])[H],-1751.29
|
| 86 |
+
[H]C([H])([H])C1([H])C([H])([H])C2([H])OC2([H])C1([H])[H],-1715.72
|
| 87 |
+
[H]C([H])=C([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-2047.43
|
| 88 |
+
[H]OC([H])([H])C#CC([H])([H])N([H])[H],-1266.14
|
| 89 |
+
[H]C([H])=C([H])C#CC([H])([H])C([H])=C([H])[H],-1608.46
|
| 90 |
+
[H]C#CC([H])([H])C(=NO[H])C([H])([H])[H],-1407.66
|
| 91 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1323.38
|
| 92 |
+
[H]OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1873.28
|
| 93 |
+
[H]C(=C([H])C1([H])OC1([H])[H])C([H])([H])[H],-1399.79
|
| 94 |
+
[H]C(=O)C([H])=C([H])C([H])=O,-1095.1
|
| 95 |
+
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])[H],-1748.56
|
| 96 |
+
[H]C([H])([H])C#CC([H])([H])C#CC([H])([H])[H],-1600.33
|
| 97 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H],-1862.52
|
| 98 |
+
[H]C([H])=C([H])C1(C([H])([H])[H])C([H])([H])N([H])C1([H])[H],-1616.95
|
| 99 |
+
[H]C([H])([H])C#CC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1898.54
|
| 100 |
+
[H]C(=O)C([H])(C([H])=C([H])[H])C([H])([H])[H],-1419.66
|
| 101 |
+
[H][C]([H])C(=C([H])[N]N([H])[H])C([H])=C([H])[H],-1497.92
|
| 102 |
+
[H]OC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1545.83
|
| 103 |
+
[H]N([H])C([H])([H])C1([H])N([H])C1(C([H])([H])[H])C([H])([H])[H],-1653.61
|
| 104 |
+
[H]C#CC([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1757.68
|
| 105 |
+
[H]OC([H])([H])C([H])([H])OC(=C([H])[H])C([H])([H])[H],-1651.32
|
| 106 |
+
[H]C#CC([H])([H])[C]([H])[N]OC([H])([H])[H],-1394.1
|
| 107 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C#N,-1790.97
|
| 108 |
+
[H]C([H])=C([H])C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1909.4
|
| 109 |
+
[H]OC([H])([H])C1(N([H])C1([H])C([H])([H])[H])C([H])([H])[H],-1717.32
|
| 110 |
+
[H]C1=NN=C(OC([H])([H])[H])C1([H])[H],-1318.81
|
| 111 |
+
[H]OC([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1868.72
|
| 112 |
+
[H]C([H])=C([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1768.81
|
| 113 |
+
[H]ON1C([H])=NC([H])(C([H])([H])[H])C1([H])[H],-1444.08
|
| 114 |
+
[H]C([H])=C(OC([H])([H])[H])C(=O)C([H])([H])[H],-1521.26
|
| 115 |
+
[H]C([H])=C1OC([H])([H])C2([H])C([H])([H])C12[H],-1576.48
|
| 116 |
+
[H]C(=O)C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1861.04
|
| 117 |
+
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2049.8
|
| 118 |
+
[H]C(=O)N(C([H])=C([H])C([H])([H])[H])N([H])[H],-1465.05
|
| 119 |
+
[H]C([H])=C1C(=O)C([H])([H])C([H])=C1[H],-1463.66
|
| 120 |
+
[H]OC([H])([H])C([H])(OC([H])([H])[H])C([H])=C([H])[H],-1640.02
|
| 121 |
+
[H]C(=O)C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-1714.71
|
| 122 |
+
[H]C1C(=NN([H])C([H])([H])C=1[H])C([H])([H])[H],-1355.23
|
| 123 |
+
[H]C#CC([H])([H])[C]([H])[N]O[H],-1107.23
|
| 124 |
+
[H][C]([N]C([H])([H])[H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1801.8
|
| 125 |
+
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])=C([H])[H],-1638.62
|
| 126 |
+
[H]N1C([H])([H])C1(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1682.44
|
| 127 |
+
[H]C(=C(OC([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H],-1717.96
|
| 128 |
+
[H]O[N][C]([H])C1([H])C([H])([H])C1([H])N([H])[H],-1430.45
|
| 129 |
+
[H]OC([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1851.04
|
| 130 |
+
[H][C]([H])[N]N1C([H])([H])C1([H])C#N,-1227.88
|
| 131 |
+
[H]C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1697.8
|
| 132 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1860.48
|
| 133 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1935.49
|
| 134 |
+
[H]C(=O)C([H])([H])C1([H])OC([H])([H])C1([H])[H],-1513.72
|
| 135 |
+
[H]C([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[H],-1837.9
|
| 136 |
+
[H]C([H])=C([H])C1([H])C([H])([H])N([H])C1([H])C([H])([H])[H],-1787.88
|
| 137 |
+
[H][N]C1=C([H])[C]([H])C([H])([H])N1[H],-1246.41
|
| 138 |
+
[H]OC1([H])C([H])([H])C1([H])C#CC([H])([H])[H],-1548.8
|
| 139 |
+
[H]C1C(=O)C([H])([H])C([H])([H])C([H])([H])C=1[H],-1607.72
|
| 140 |
+
[H][C]([N]C([H])([H])[H])N1C([H])([H])C([H])([H])C1([H])[H],-1646.61
|
| 141 |
+
[H]N([H])C1([H])C([H])([H])OC([H])([H])OC1([H])[H],-1529.77
|
| 142 |
+
[H]N=C1N([H])C([H])([H])C([H])([H])C1([H])O[H],-1288.1
|
| 143 |
+
[H]OC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])N([H])[H],-1720.5
|
| 144 |
+
[H]C#CC(=NO[H])OC([H])([H])[H],-1197.11
|
| 145 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])=O,-1523.62
|
| 146 |
+
[H]C([H])=C1C(=C([H])[H])C([H])([H])OC1([H])[H],-1575.68
|
| 147 |
+
[H]C([H])=C([H])C(=O)C#N,-1026.67
|
| 148 |
+
[H]C(=O)N(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1437.43
|
| 149 |
+
[H]C#CC1([H])N([H])C1([H])C([H])=O,-1409.99
|
| 150 |
+
[H]C#CC([H])([H])N([H])C([H])([H])C([H])=O,-1556.03
|
| 151 |
+
[H]OC(C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1564.68
|
| 152 |
+
[H]N=C(C(=C([H])[H])C([H])([H])[H])N([H])O[H],-1438.99
|
| 153 |
+
[H][C](C#N)[N]N(C([H])([H])[H])C([H])([H])[H],-1369.0
|
| 154 |
+
[H]C1([H])C2([H])C([H])([H])C3([H])C1([H])C3([H])C2([H])[H],-1795.0
|
| 155 |
+
[H]C([H])=C([H])OC([H])(C([H])=C([H])[H])C([H])([H])[H],-1700.73
|
| 156 |
+
[H]C1=NN([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1531.96
|
| 157 |
+
[H]C([H])=C(C([H])([H])OC([H])([H])[H])C([H])([H])N([H])[H],-1709.78
|
| 158 |
+
[H]C([H])=C1C([H])([H])OC([H])([H])C([H])([H])C1([H])[H],-1720.57
|
| 159 |
+
[H]C([H])([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1868.5
|
| 160 |
+
[H]OC([H])(C([H])=C([H])C([H])=C([H])[H])C([H])([H])[H],-1711.81
|
| 161 |
+
[H]C#CC1=NSN=C1[H],-1146.11
|
| 162 |
+
[H]C([H])([H])OC([H])(OC([H])([H])[H])C([H])([H])C([H])([H])[H],-1781.76
|
| 163 |
+
[H]C#CC([H])(C([H])([H])[H])C1([H])N([H])C1([H])[H],-1912.27
|
| 164 |
+
[H]C([H])=C(C([H])([H])[H])C1([H])OC1([H])C([H])([H])[H],-1701.45
|
| 165 |
+
[H]N1C([H])([H])C(N([H])[H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1221.89
|
| 166 |
+
[H]C#CC1([H])C([H])([H])C1([H])N([H])[H],-1323.05
|
| 167 |
+
[H]C1=NC([H])([H])C(=O)C([H])([H])N1[H],-1486.5
|
| 168 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C#CC([H])([H])[H],-1755.16
|
| 169 |
+
[H]C1=C([H])C([H])(N([H])[H])C([H])([H])N([H])C1([H])[H],-1663.65
|
| 170 |
+
[H]N1C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1800.01
|
| 171 |
+
[H]N1C([H])([H])C([H])([H])C2(OC2([H])[H])C1([H])[H],-1582.33
|
| 172 |
+
[H]N1C([H])([H])C2([H])C([H])([H])C2([H])C1([H])C([H])([H])[H],-1793.64
|
| 173 |
+
[H]N1C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1321.12
|
| 174 |
+
[H]C([H])=C([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1695.1
|
| 175 |
+
[H]C(=O)OC(=C([H])[H])C([H])([H])C([H])([H])[H],-1531.53
|
| 176 |
+
[H]N([H])C1([H])C([H])([H])C([H])(N([H])[H])C1([H])[H],-1488.97
|
| 177 |
+
[H]C(=O)C#CC#N,-857.15
|
| 178 |
+
[H]N=C(C(=C([H])[H])C([H])=C([H])[H])N([H])[H],-1523.27
|
| 179 |
+
[H]C1=NOC([H])([H])C(=C1[H])N([H])[H],-1312.75
|
| 180 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1906.7
|
| 181 |
+
[H][C]([H])[N]N([H])C1([H])C([H])([H])C1([H])[H],-1326.7
|
| 182 |
+
[H]C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1391.77
|
| 183 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H],-1851.53
|
| 184 |
+
[H]N([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1234.36
|
| 185 |
+
[H]C#CC(=NN([H])C([H])([H])[H])C([H])([H])[H],-1478.38
|
| 186 |
+
[H]C([H])=C([H])C([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1919.97
|
| 187 |
+
[H]C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],-1451.06
|
| 188 |
+
[H]C1=NC([H])([H])C(=C([H])[H])N1[H],-1242.71
|
| 189 |
+
[H][C]([N]N([H])C([H])=O)C([H])([H])C([H])([H])[H],-1471.89
|
| 190 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C(=O)C#N,-1468.02
|
| 191 |
+
[H]C1([H])C(=O)C2([H])C([H])([H])N1C2([H])[H],-1566.74
|
| 192 |
+
[H]C([H])([H])C1([H])OC([H])([H])C([H])([H])OC1([H])[H],-1656.57
|
| 193 |
+
[H]C#CS(=O)(=O)C([H])([H])O[H],-1293.13
|
| 194 |
+
[H]N([H])C1(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1383.1
|
| 195 |
+
[H][N][C]1N([H])OC([H])(C([H])([H])[H])C1([H])[H],-1448.29
|
| 196 |
+
[H]C([H])=C1OC([H])=C([H])C1([H])N([H])[H],-1453.64
|
| 197 |
+
[H]C([H])=C([H])C([H])=C([H])C(=O)N([H])[H],-1472.88
|
| 198 |
+
[H]C(=O)C1(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1710.63
|
| 199 |
+
[H]C#CC(O[H])(C([H])([H])[H])C([H])([H])[H],-1398.32
|
| 200 |
+
[H]N(C([H])([H])[H])C([H])([H])[H],-871.19
|
| 201 |
+
[H]C([H])=C([H])C1([H])C([H])=C([H])C([H])=C1[H],-1639.01
|
| 202 |
+
[H]OC1([H])C([H])([H])C([H])([H])C([H])(O[H])C1([H])[H],-1668.94
|
| 203 |
+
[H]C(=O)N(C(=C([H])[H])C([H])([H])[H])N([H])[H],-1463.46
|
| 204 |
+
[H]N([H])N=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1782.84
|
| 205 |
+
[H]OC([H])(C(=C([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1850.64
|
| 206 |
+
[H]C(=O)N(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1598.01
|
| 207 |
+
[H]N([H])C([H])([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1929.2
|
| 208 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H],-1783.81
|
| 209 |
+
[H]OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H],-1545.17
|
| 210 |
+
[H]OC([H])([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1846.75
|
| 211 |
+
[H]C1OC([H])(OC([H])([H])[H])C([H])([H])C=1[H],-1516.52
|
| 212 |
+
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1787.78
|
| 213 |
+
[H]OC1=C(C([H])=C([H])N1[H])C([H])([H])[H],-1482.36
|
| 214 |
+
[H]N1C(=O)C([H])(N([H])C([H])([H])[H])C1([H])[H],-1471.92
|
| 215 |
+
[H]OC([H])([H])C([H])=C([H])[H],-958.05
|
| 216 |
+
[H]OC([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1867.1
|
| 217 |
+
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-2045.98
|
| 218 |
+
[H]N1C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1324.02
|
| 219 |
+
[H]C#CC#CC([H])(O[H])C([H])([H])[H],-1388.3
|
| 220 |
+
[H]OC1(C([H])([H])[H])C([H])([H])N([H])C([H])([H])C1([H])[H],-1735.96
|
| 221 |
+
[H]C1=NN([H])C([H])=C1C([H])([H])[H],-1253.88
|
| 222 |
+
[H]C#CC#CC([H])=NN([H])[H],-1179.93
|
| 223 |
+
[H]N([H])C([H])([H])C1([H])N(C([H])([H])C([H])([H])[H])C1([H])[H],-1779.55
|
| 224 |
+
[H]OC([H])(C([H])=O)C([H])([H])C([H])=C([H])[H],-1519.52
|
| 225 |
+
[H]C([H])=C1OC([H])=C([H])C1([H])[H],-1288.11
|
| 226 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1466.4
|
| 227 |
+
[H]N1C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1354.98
|
| 228 |
+
[H]C1C([H])=C([H])C([H])([H])C=1[H],-1194.16
|
| 229 |
+
[H]C([H])=C([H])C([H])([H])OC([H])([H])OC([H])([H])[H],-1635.59
|
| 230 |
+
[H]C1([H])OC([H])([H])C2([H])C([H])([H])C2([H])O1,-1506.06
|
| 231 |
+
[H]N=C1C([H])=C([H])C(=O)N1[H],-1234.76
|
| 232 |
+
[H]ON([C]([H])[N]C([H])([H])C([H])([H])[H])C([H])([H])[H],-1569.14
|
| 233 |
+
[H]OC1([H])C([H])(N([H])[H])C([H])([H])C1([H])N([H])[H],-1590.07
|
| 234 |
+
[H]C#CC1(N([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1611.47
|
| 235 |
+
[H]N([H])C(=O)C1([H])OC1([H])C([H])([H])[H],-1407.06
|
| 236 |
+
[H]C#CC([H])(O[H])C(=O)N([H])[H],-1489.79
|
| 237 |
+
[H]N1C([H])([H])C(=O)C2([H])C([H])([H])C12[H],-1534.68
|
| 238 |
+
[H]N=C(C#CC([H])=O)N([H])[H],-2192.0
|
| 239 |
+
[H]C1=C([H])C([H])([H])C(=O)N1[H],-1193.68
|
| 240 |
+
[H]OC([H])([H])C(OC([H])=C([H])[H])=C([H])[H],-1502.54
|
| 241 |
+
[H]C([H])([H])OC([H])(OC([H])([H])C([H])([H])[H])C([H])([H])[H],-1785.2
|
| 242 |
+
[H]C#CC([H])([H])N([H])C([H])=O,-1151.39
|
| 243 |
+
[H]C(=O)C([H])=C([H])C1([H])N([H])C1([H])[H],-1571.0
|
| 244 |
+
[H]OC([H])([H])C(=C([H])C#N)N([H])[H],-1274.29
|
| 245 |
+
[H]C1C(=C([H])N([H])C=1C([H])([H])[H])C([H])([H])[H],-1779.98
|
| 246 |
+
[H]C(=C(OC([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1844.17
|
| 247 |
+
[H]C1=C(C([H])([H])[H])C([H])(N([H])C1([H])[H])C([H])([H])[H],-1787.4
|
| 248 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1851.04
|
| 249 |
+
[H]C1OC([H])(OC=1[H])C([H])([H])C([H])([H])[H],-1517.58
|
| 250 |
+
[H]OC([H])([H])C1([H])OC([H])([H])C1([H])[H],-1347.5
|
| 251 |
+
[H]N([H])C([H])([H])C#CC([H])([H])[H],-1174.66
|
| 252 |
+
[H]C1([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1897.37
|
| 253 |
+
[H]C1OC(=C(C=1[H])N([H])[H])C([H])([H])[H],-1475.01
|
| 254 |
+
[H]N([H])C(=O)N([H])C1([H])C([H])([H])C1([H])[H],-1494.41
|
| 255 |
+
[H][C](C#N)[N][N][C]([H])C([H])([H])[H],-1252.2
|
| 256 |
+
[H]C1=NC([H])([H])C2([H])N1C([H])([H])C2([H])[H],-1520.53
|
| 257 |
+
[H]C1C(=NN([H])C=1[H])OC([H])([H])[H],-1343.03
|
| 258 |
+
[H]N1C(=O)C([H])([H])C2([H])N1C2([H])[H],-1920.23
|
| 259 |
+
[H]C1([H])OC2([H])C([H])([H])C([H])(O1)C2([H])[H],-1499.33
|
| 260 |
+
[H]C1SC(=C(C=1[H])N([H])[H])N([H])[H],-1246.53
|
| 261 |
+
[H]N1C([H])(C([H])([H])[H])C([H])([H])C2([H])C([H])([H])C12[H],-1785.3
|
| 262 |
+
[H]C#CC1([H])N([H])C([H])([H])C1([H])O[H],-1319.54
|
| 263 |
+
[H]N=C([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1797.33
|
| 264 |
+
[H]C([H])=C([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1846.22
|
| 265 |
+
[H]C(C(=O)N([H])[H])=C([H])C([H])([H])C([H])([H])[H],-1619.98
|
| 266 |
+
[H]C(=O)C#CC#CC([H])([H])[H],-1260.65
|
| 267 |
+
[H]OC([H])([H])C1([H])OC([H])([H])C1([H])C([H])([H])[H],-1646.83
|
| 268 |
+
[H]OC([H])([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1645.94
|
| 269 |
+
[H][C]([H])[N]OC([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1565.05
|
| 270 |
+
[H][C]([H])[N]OC1([H])C([H])([H])C1([H])[H],-1248.65
|
| 271 |
+
[H]C([H])=C([H])OC([H])(C([H])([H])[H])C([H])([H])N([H])[H],-1717.64
|
| 272 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])(C#N)C1([H])[H],-1656.48
|
| 273 |
+
[H]OC([H])(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H],-1672.59
|
| 274 |
+
[H]C1C(=O)C([H])([H])C([H])([H])N([H])C=1[H],-1368.94
|
| 275 |
+
[H]C#CC([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1769.89
|
| 276 |
+
[H]C([H])=C([H])C([H])(OC([H])([H])[H])OC([H])([H])[H],-1634.75
|
| 277 |
+
[H]N=C(N([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1664.72
|
| 278 |
+
[H]C1=NN=C(C([H])=C([H])[H])C1([H])[H],-1525.09
|
| 279 |
+
[H]C#CC(O[H])(C([H])([H])[H])C([H])([H])O[H],-1494.09
|
| 280 |
+
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1904.48
|
| 281 |
+
[H]C#CC([H])(C#C[H])N([H])[H],-1158.3
|
| 282 |
+
[H]OC([H])([H])C1([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1847.74
|
| 283 |
+
[H]N([H])C1([H])C(=O)N(C([H])([H])[H])C1([H])[H],-1477.71
|
| 284 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C(=O)N([H])[H],-1618.54
|
| 285 |
+
[H]C(C#N)=C(OC([H])([H])[H])C([H])([H])[H],-1457.72
|
| 286 |
+
[H]OC1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1848.73
|
| 287 |
+
[H]OC(=O)C([H])([H])C(=C([H])[H])C([H])([H])[H],-1545.31
|
| 288 |
+
[H]C(=O)C1([H])C([H])([H])C1([H])C([H])=C([H])[H],-1571.73
|
| 289 |
+
[H]C#CC(O[H])(C([H])=C([H])[H])C([H])([H])[H],-1545.88
|
| 290 |
+
[H]C#CC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1891.5
|
| 291 |
+
[H]C(=O)C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1722.74
|
| 292 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C(=O)C1([H])[H],-1527.51
|
| 293 |
+
[H]C1C([H])=C(SC=1N([H])[H])C([H])([H])[H],-1449.89
|
| 294 |
+
[H]N1C([H])([H])C1([H])[H],-725.93
|
| 295 |
+
[H]C(C(=O)OC([H])([H])[H])=C([H])C([H])([H])[H],-1540.83
|
| 296 |
+
[H]C([H])([H])C(=O)C([H])([H])C#N,-1178.33
|
| 297 |
+
[H]C1=NOC([H])([H])C([H])=C([H])O1,-1221.64
|
| 298 |
+
[H]OC([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1417.04
|
| 299 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1995.12
|
| 300 |
+
[H][C](C([H])=C([H])[H])C([H])=C([H])[N]N([H])[H],-1505.19
|
| 301 |
+
[H]C([H])=C1C([H])([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1426.9
|
| 302 |
+
[H]O[N]C([H])=C([C]([H])[H])C([H])([H])C([H])([H])[H],-1566.5
|
| 303 |
+
[H]OC1([H])C(=O)C([H])([H])N([H])C1([H])[H],-1591.66
|
| 304 |
+
[H]C#CC(=O)C([H])(C([H])([H])[H])C([H])([H])[H],-1563.68
|
| 305 |
+
[H]C1([H])C([H])([H])C1([H])C1([H])C([H])([H])C1([H])[H],-1600.75
|
| 306 |
+
[H]C#CC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1360.81
|
| 307 |
+
C([H])([H])([H])[H],-417.96
|
| 308 |
+
[H]OC1C([H])=C([H])N([H])C=1N([H])[H],-1352.8
|
| 309 |
+
[H]C([H])([H])N1C([H])([H])C1([H])C([H])([H])[H],-1315.9
|
| 310 |
+
[H]OC([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])N([H])[H],-1718.54
|
| 311 |
+
[H]C#CC#CC([H])=O,-955.38
|
| 312 |
+
[H]O[N][C]([H])C(O[H])(C([H])([H])[H])C([H])([H])[H],-1508.07
|
| 313 |
+
[H]OC1=C([H])SC([H])=C1[H],-1077.68
|
| 314 |
+
[H]C([H])=C([H])OC([H])([H])C([H])=C([H])C([H])([H])[H],-1703.05
|
| 315 |
+
[H][C]([N]N([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1634.06
|
| 316 |
+
[H]N1C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1617.95
|
| 317 |
+
[H]C1=NC([H])([H])C([H])(C#N)N1[H],-1281.77
|
| 318 |
+
[H]C1=C([H])C2([H])C([H])([H])C2([H])C([H])([H])C1([H])[H],-1917.42
|
| 319 |
+
[H]C1OC([H])=C([H])C=1[H],-1006.35
|
| 320 |
+
[H]N=C(C([H])=C([H])[H])N([H])C([H])=O,-1350.15
|
| 321 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])(C#N)C([H])([H])[H],-1665.68
|
| 322 |
+
[H]C1([H])OC2([H])C([H])([H])C2([H])C([H])([H])C1([H])[H],-1710.51
|
| 323 |
+
[H]OC([H])(C#N)C([H])([H])C([H])=C([H])[H],-1456.81
|
| 324 |
+
[H]C1([H])C2([H])OC2([H])C2([H])OC12[H],-1359.16
|
| 325 |
+
[H]C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1690.79
|
| 326 |
+
[H]C(C#N)=C([H])C([H])([H])C([H])([H])C([H])([H])[H],-1660.91
|
| 327 |
+
[H]C([H])=C([H])C(=C([H])C([H])([H])[H])C([H])([H])[H],-1615.41
|
| 328 |
+
[H]C#CC(=NOC([H])([H])[H])C([H])([H])[H],-1398.71
|
| 329 |
+
[H]C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1552.8
|
| 330 |
+
[H]OC([H])(C([H])=C([H])C([H])([H])[H])C([H])([H])N([H])[H],-1725.7
|
| 331 |
+
[H]C1=C([H])C2([H])N([H])C2([H])C1([H])N([H])[H],-1514.99
|
| 332 |
+
[H]OC([H])([H])C([H])(C([H])=C([H])C([H])([H])[H])C([H])([H])[H],-1852.14
|
| 333 |
+
[H]C(=O)OC([H])=C(C([H])([H])[H])C([H])([H])[H],-1536.8
|
| 334 |
+
[H]C(=O)N([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1512.49
|
| 335 |
+
[H]C#CC([H])([H])C([H])([H])[C]([H])[N]N([H])[H],-1478.87
|
| 336 |
+
[H]O[N][C]([H])C([H])([H])C([H])([H])N([H])C([H])([H])[H],-1569.91
|
| 337 |
+
[H]C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])(C)C([H])([H])[H],-1230.86
|
| 338 |
+
[H]OC1(C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H],-1638.95
|
| 339 |
+
[H][C]([N]OC([H])([H])C([H])([H])[H])N([H])C([H])([H])[H],-1572.65
|
| 340 |
+
[H]OC1([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1850.31
|
| 341 |
+
[H]C1C([H])=C([H])C([H])(N([H])[H])C([H])([H])C=1[H],-1656.46
|
| 342 |
+
[H]C1C(=NC([H])([H])[H])SN([H])C=1[H],-1310.14
|
| 343 |
+
[H]C(=O)C1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1593.63
|
| 344 |
+
[H]C#CC([H])([H])C([H])([H])[H],-1003.91
|
| 345 |
+
[H]C1([H])OC([H])([H])C2(OC2([H])[H])C1([H])[H],-1509.54
|
| 346 |
+
[H]C1([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C1([H])C2([H])[H],-1244.22
|
| 347 |
+
[H]C#CC(=O)O[N][C]([H])[H],-1073.75
|
| 348 |
+
[H]C([H])([H])OC1([H])C([H])([H])C1([H])[H],-1242.47
|
| 349 |
+
[H][C]([H])[N]N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1626.31
|
| 350 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-2047.3
|
| 351 |
+
[H]N([H])C1([H])C2([H])N([H])C([H])([H])C([H])([H])C12[H],-1652.24
|
| 352 |
+
[H][C]([H])[N]OC1([H])C([H])([H])OC1([H])[H],-1343.02
|
| 353 |
+
[H]C(=O)C([H])([H])C([H])([H])OC([H])([H])[H],-1355.73
|
| 354 |
+
[H]OC([H])(C([H])=O)C([H])=C([H])[H],-1222.74
|
| 355 |
+
[H]C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1861.9
|
| 356 |
+
[H]C#CC([H])=C([H])C([H])=C([H])[H],-1316.15
|
| 357 |
+
[H]C#CC(=O)C([H])([H])O[H],-1068.2
|
| 358 |
+
[H]C1=C([H])C2(N([H])[H])C([H])([H])C1([H])C2([H])[H],-1622.65
|
| 359 |
+
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.05
|
| 360 |
+
[H]N=C(N(C([H])=O)C([H])([H])[H])C([H])([H])[H],-1489.24
|
| 361 |
+
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1747.0
|
| 362 |
+
[H]OC1(C([H])=NN=C1[H])C([H])([H])[H],-1317.48
|
| 363 |
+
[H]C1=NC([H])([H])C([H])([H])C([H])(N1[H])C([H])([H])[H],-1684.45
|
| 364 |
+
[H]N(C([H])([H])C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1913.05
|
| 365 |
+
[H]C(=O)C1([H])OC1([H])C([H])([H])[H],-1215.49
|
| 366 |
+
[H]N1C2([H])C([H])([H])OC([H])(C([H])([H])[H])C12[H],-1578.52
|
| 367 |
+
[H]C([H])=C([H])C(N([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1911.6
|
| 368 |
+
[H]OC([H])([H])[C]([H])[N]N(C([H])([H])[H])C([H])([H])[H],-1569.11
|
| 369 |
+
[H]N=C1N([H])C([H])=C([H])C([H])([H])C1([H])[H],-1548.18
|
| 370 |
+
[H]C([H])=C([H])C(=O)C1([H])C([H])([H])C1([H])[H],-1579.47
|
| 371 |
+
[H]C#CC([H])=C([H])C#N,-1062.67
|
| 372 |
+
[H]OC([H])([H])C1([H])C([H])([H])C1(N([H])[H])C([H])([H])[H],-1717.71
|
| 373 |
+
[H]C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1254.21
|
| 374 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1631.75
|
| 375 |
+
[H][C]([H])[N]N1C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1914.75
|
| 376 |
+
[H]OS([O])([O])C#CC([H])([H])[H],-1934.67
|
| 377 |
+
[H]OC1(C([H])([H])C1([H])[H])C1([H])OC1([H])[H],-1496.38
|
| 378 |
+
[H]C([H])=C([H])C([H])=C([H])OC([H])([H])[H],-1409.41
|
| 379 |
+
[H]N1C([H])([H])C([H])(C([H])([H])[H])S1(=O)=O,-1246.69
|
| 380 |
+
[H]C([H])([H])C1([H])C([H])([H])C(=O)C1([H])[H],-1427.89
|
| 381 |
+
[H]OC([H])([H])C(=C([H])[H])C([H])([H])O[H],-1352.82
|
| 382 |
+
[H]C([H])=C([H])C1C([H])=C([H])C([H])([H])C=1[H],-1647.73
|
| 383 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1754.03
|
| 384 |
+
[H]C([H])=C([H])C([H])([H])N1C([H])([H])C([H])([H])C1([H])[H],-1761.47
|
| 385 |
+
[H]C([H])([H])N1C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1787.78
|
| 386 |
+
[H]C([H])=C([H])C([H])(N([H])[H])C1([H])OC1([H])[H],-1568.22
|
| 387 |
+
[H]N1C(=O)C2([H])N([H])C2([H])C1([H])[H],-1159.33
|
| 388 |
+
[H]C(=O)C(=C([H])[H])C1([H])N([H])C1([H])[H],-1441.33
|
| 389 |
+
[H]C([H])([H])C#CC([H])([H])C#N,-1207.02
|
| 390 |
+
[H]N([H])C1(C([H])([H])[H])C([H])([H])C1([H])OC([H])([H])[H],-1707.6
|
| 391 |
+
[H]N(C([H])([H])C#N)C([H])([H])C([H])([H])[H],-1370.03
|
| 392 |
+
[H]C1OC(OC=1[H])(C([H])([H])[H])C([H])([H])[H],-1522.11
|
| 393 |
+
[H]N(C([H])([H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1616.39
|
| 394 |
+
[H]N(C([H])([H])[H])C1([H])C([H])([H])C1([H])OC([H])([H])[H],-1699.17
|
| 395 |
+
[H]OC([H])(C([H])=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1849.15
|
| 396 |
+
[H]C1=C([H])C2([H])OC1([H])C2([H])N([H])[H],-1411.07
|
| 397 |
+
[H]OC([H])([H])C#CC([H])(C([H])([H])[H])C([H])([H])[H],-1694.24
|
| 398 |
+
[H]O[N][C]([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1563.71
|
| 399 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])[H],-1107.82
|
| 400 |
+
[H]C([H])=C([H])C([H])([H])C(C#N)=C([H])[H],-1358.14
|
| 401 |
+
[H]OC([H])([H])C1(O[H])C([H])([H])C1([H])N([H])[H],-1522.9
|
| 402 |
+
[H]N1C(=S)N([H])C2([H])C([H])([H])C12[H],-1462.95
|
| 403 |
+
[H]N(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C#N,-1667.04
|
| 404 |
+
[H]C(=O)N1C([H])([H])C1([H])C([H])=O,-1800.57
|
| 405 |
+
[H][N][C]([H])N1C([H])([H])C([H])([H])C1([H])[H],-1357.47
|
| 406 |
+
[H]C1C([H])=C(N(C=1[H])N([H])[H])C([H])([H])[H],-1333.28
|
| 407 |
+
[H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])N([H])C1([H])[H],-1777.89
|
| 408 |
+
[H]C([H])=C([H])C([H])=C([H])C([H])=C([H])[H],-1474.75
|
| 409 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1762.03
|
| 410 |
+
[H]C#CC1([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1384.23
|
| 411 |
+
[H]C1=NOC([H])([H])C1([H])C([H])([H])N([H])[H],-1443.59
|
| 412 |
+
[H]C([H])([H])C1([H])OC(=O)C1([H])C([H])([H])[H],-1546.78
|
| 413 |
+
[H]N=C([H])N([H])C([H])([H])C([H])=C([H])[H],-1361.99
|
| 414 |
+
[H][C]([N]OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1702.37
|
| 415 |
+
[H]C([H])=C([H])C1=C([H])C([H])([H])OC1([H])[H],-1579.87
|
| 416 |
+
[H]C([H])([H])OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1541.69
|
| 417 |
+
[H]OC([H])([H])C([H])=C([H])C([H])(O[H])C([H])([H])[H],-1652.29
|
| 418 |
+
[H]C([H])([H])C([H])([H])OC([H])(C#N)C([H])([H])[H],-1593.91
|
| 419 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1631.67
|
| 420 |
+
[H]O[N][C]([H])C1([H])N([H])C([H])([H])C1([H])[H],-1419.58
|
| 421 |
+
[H]C([H])=C([H])C([H])=C(C#N)C([H])([H])[H],-2062.5
|
| 422 |
+
[H]C(=C1C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H],-1718.79
|
| 423 |
+
[H]C([H])([H])OC([H])([H])C1([H])OC([H])([H])C1([H])[H],-1634.58
|
| 424 |
+
[H]OC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])O[H],-1649.99
|
| 425 |
+
[H]OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])O[H],-1646.88
|
| 426 |
+
[H]C(=O)C([H])(C(=O)N([H])[H])C([H])([H])[H],-1427.02
|
| 427 |
+
[H]OC1([H])C([H])([H])C([H])(C#N)C1([H])[H],-1463.31
|
| 428 |
+
[H]C#CC([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1745.24
|
| 429 |
+
[H]C([H])=C([H])OC([H])([H])C1([H])OC1([H])[H],-1493.27
|
| 430 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1769.38
|
| 431 |
+
[H]C1=C([H])C([H])(OC1([H])[H])C([H])([H])N([H])[H],-1589.92
|
| 432 |
+
[H]C1=NOC([H])=C1C([H])([H])C([H])([H])[H],-1455.55
|
| 433 |
+
[H]C(=O)C(C(=O)C([H])([H])[H])=C([H])[H],-1395.52
|
| 434 |
+
[H]C#CC([H])(N([H])C([H])=N[H])C([H])([H])[H],-1501.13
|
| 435 |
+
[H]C#CC1OC([H])=C([H])C=1[H],-1302.02
|
| 436 |
+
[H]O[N][C]([H])C#CC([H])([H])C([H])([H])[H],-1409.25
|
| 437 |
+
[H]C(=O)OC(=C([H])[H])C([H])([H])[H],-1236.4
|
| 438 |
+
[H]C#C[C]([H])[N]OC([H])([H])[H],-1097.08
|
| 439 |
+
[H]N=C([H])N1C([H])=C([H])C([H])([H])C1([H])[H],-1537.44
|
| 440 |
+
[H]C#CC([H])(N([H])C([H])=O)C([H])([H])[H],-1449.08
|
| 441 |
+
[H]C1OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C=1[H],-1726.64
|
| 442 |
+
[H]N1C([H])([H])C1([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1768.31
|
| 443 |
+
[H]C#CC([H])(C(=O)O[H])C([H])([H])[H],-1384.56
|
| 444 |
+
[H]OC([H])([H])C([H])([H])OC([H])=C([H])C([H])([H])[H],-1648.52
|
| 445 |
+
[H]N1C2([H])C(=O)C([H])([H])C([H])([H])C12[H],-1319.41
|
| 446 |
+
[H]C1OC(=C(C=1[H])C([H])([H])[H])N([H])[H],-1477.93
|
| 447 |
+
[H]C1C(=NOC=1C([H])([H])[H])C([H])([H])[H],-1464.21
|
| 448 |
+
[H]C([H])=C(C#N)C([H])([H])[H],-1065.62
|
| 449 |
+
[H]C([H])(C#N)C(=O)C([H])([H])C([H])([H])[H],-1474.1
|
| 450 |
+
[H]OC1(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])N([H])[H],-1719.6
|
| 451 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C1([H])OC1([H])[H],-1545.42
|
| 452 |
+
[H]N1C(=NC([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H],-1804.67
|
| 453 |
+
[H]C([H])=C1C([H])([H])C([H])([H])C2([H])OC12[H],-1568.85
|
| 454 |
+
[H]OC1([H])C([H])([H])C([H])=C(C([H])([H])[H])C1([H])[H],-1731.09
|
| 455 |
+
[H]OC([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])N([H])[H],-1717.26
|
| 456 |
+
[H][C]1O[N]N=C1C([H])([H])C([H])([H])[H],-1321.07
|
| 457 |
+
[H]OC1SC([H])=C(C=1[H])N([H])[H],-1440.98
|
| 458 |
+
[H]C([H])([H])C(=NN(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1771.21
|
| 459 |
+
[H][C]([N]OC([H])([H])[H])C([H])([H])[H],-1105.28
|
| 460 |
+
[H]C1([H])C2([H])C([H])([H])C1([H])C1([H])C([H])([H])C21[H],-1741.42
|
| 461 |
+
[H]C([H])([H])C1([H])C(=O)C([H])([H])C1([H])C([H])([H])[H],-1725.4
|
| 462 |
+
[H]C1=C([H])C2([H])N([H])C1([H])C([H])([H])C2([H])[H],-1653.9
|
| 463 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])([H])OC([H])([H])[H],-1698.18
|
| 464 |
+
[H][C]([H])[N]N(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1467.09
|
| 465 |
+
[H]N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])N([H])[H],-1809.1
|
| 466 |
+
[H]C(=O)C(C([H])=O)(C([H])([H])[H])C([H])([H])[H],-1528.92
|
| 467 |
+
[H]N([H])C(=O)C([H])(N([H])C([H])([H])[H])C([H])([H])[H],-1625.88
|
| 468 |
+
[H]C1=C([H])C2([H])N(C2([H])[H])C1([H])C([H])([H])[H],-1413.76
|
| 469 |
+
[H]C(=O)N1OC([H])([H])C([H])([H])C1([H])[H],-1357.61
|
| 470 |
+
[H]C([H])=C1N([H])C(=O)OC1([H])[H],-1300.24
|
| 471 |
+
[H]N1C([H])([H])C1([H])C#CC([H])([H])[H],-1320.97
|
| 472 |
+
[H]C(=O)N(C([H])=C([H])[H])N([H])C([H])([H])[H],-1457.02
|
| 473 |
+
[H]C#CC#CC#C[H],-981.05
|
| 474 |
+
[H]C1SC(=C([H])C=1[H])N([H])C([H])([H])[H],-1311.57
|
| 475 |
+
[H]C([H])([H])C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1869.34
|
| 476 |
+
[H]C#CC1=NN([H])C([H])=C1[H],-1659.01
|
| 477 |
+
[H]C1([H])OC1([H])C1([H])OC1([H])[H],-1191.44
|
| 478 |
+
[H]N=C(C([H])=C([H])[H])N([H])C([H])([H])[H],-1366.25
|
| 479 |
+
[H]C#CC(C#C[H])(C([H])([H])[H])C([H])([H])[H],-1586.9
|
| 480 |
+
[H]C([H])=C1C(=O)N([H])OC1([H])[H],-1246.0
|
| 481 |
+
[H]C#CC([H])([H])S(=O)(=O)C([H])([H])[H],-1362.13
|
| 482 |
+
[H]C#CC([H])([H])N([H])C([H])=N[H],-1208.21
|
| 483 |
+
[H]C([H])([H])OS([O])([O])C([H])([H])C([H])([H])[H],-1453.83
|
| 484 |
+
[H][N][C]1N([H])C([H])=C([H])C1([H])O[H],-1298.63
|
| 485 |
+
[H]C([H])=C(C#CC([H])([H])[H])C([H])([H])N([H])[H],-1503.27
|
| 486 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1643.22
|
| 487 |
+
[H]C([H])=C([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],-1600.79
|
| 488 |
+
[H]ON=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1708.82
|
| 489 |
+
[H]N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1304.18
|
| 490 |
+
[H]C([H])=C([H])C([H])([H])C([H])(C([H])=C([H])[H])C([H])([H])[H],-1902.2
|
| 491 |
+
[H]C(=O)N([H])N1C([H])([H])C([H])([H])C1([H])[H],-1167.58
|
| 492 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1842.0
|
| 493 |
+
[H]OC1C([H])=C([H])N([H])C=1O[H],-1337.6
|
| 494 |
+
[H]C([H])=C([H])C([H])(OC([H])([H])[H])C([H])=C([H])[H],-1692.18
|
| 495 |
+
[H]N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])[H],-1927.87
|
| 496 |
+
[H]C#CC([H])(N([H])C([H])([H])[H])C([H])([H])O[H],-1555.34
|
| 497 |
+
[H]C([H])([H])C1(C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H],-1897.56
|
| 498 |
+
[H]C(=O)C([H])([H])N([H])C([H])([H])[H],-1131.72
|
| 499 |
+
[H][C]([H])[N]N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1777.47
|
| 500 |
+
[H]C1=NOC([H])([H])C([H])([H])C1=C([H])[H],-1431.6
|
| 501 |
+
[H]N1C([H])([H])C([H])([H])C2([H])C([H])([H])C12[H],-1485.76
|
| 502 |
+
[H]C#CC(=C([H])OC([H])([H])[H])C([H])([H])[H],-1548.03
|
| 503 |
+
[H]C#CC([H])(N([H])[H])C([H])([H])N([H])C([H])([H])[H],-1625.13
|
| 504 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C#N,-1667.61
|
| 505 |
+
[H]ON(C(=O)C([H])([H])[H])C([H])=C([H])[H],-1384.44
|
| 506 |
+
[H]N=C(C([H])=C([H])C([H])([H])[H])N([H])O[H],-1440.53
|
| 507 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1843.18
|
| 508 |
+
[H]N([H])C([H])([H])C([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1924.57
|
| 509 |
+
[H]N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H],-1561.49
|
| 510 |
+
[H]C([H])=C([H])C(=O)C#CC([H])([H])[H],-1427.95
|
| 511 |
+
[H]N1C([H])([H])C(=O)C1([H])[H],-993.7
|
| 512 |
+
[H]N(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])OC1([H])[H],-1705.49
|
| 513 |
+
[H]C([H])=C(C(=O)C([H])([H])[H])C([H])([H])[H],-1432.27
|
| 514 |
+
[H]N=C([H])N(C(=O)C([H])([H])[H])C([H])([H])[H],-1490.19
|
| 515 |
+
[H]C([H])=C([H])C1([H])C(=O)C([H])([H])C1([H])[H],-1575.81
|
| 516 |
+
[H]C1OC(=O)C([H])([H])C=1[H],-1115.25
|
| 517 |
+
[H]N([H])C1([H])C([H])(N([H])C([H])([H])[H])C1([H])C([H])([H])[H],-1781.56
|
| 518 |
+
[H]C#CC([H])(O[H])C([H])([H])C([H])([H])[H],-1395.64
|
| 519 |
+
[H]C#CC([C]([H])[H])=C([H])[N]O[H],-1098.8
|
| 520 |
+
[H]C1=NC2([H])C([H])([H])C([H])([H])C2([H])N1[H],-1531.9
|
| 521 |
+
[H]C1=NC([H])([H])C([H])(N1[H])C([H])([H])C([H])([H])[H],-1372.06
|
| 522 |
+
[H]N1C(=O)C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H],-1613.34
|
| 523 |
+
[H]C#CC([H])([H])C([H])([H])C(=O)O[H],-1385.49
|
| 524 |
+
[H]OC1([H])C([H])([H])N([H])C([H])([H])C1([H])O[H],-1470.43
|
| 525 |
+
[H]C([H])([H])C1([H])C2([H])OC1([H])C([H])([H])C2([H])[H],-1707.74
|
| 526 |
+
[H]C1=NN=C([H])C1=C([H])[H],-1082.2
|
| 527 |
+
[H]C1ON=C(C=1N([H])[H])C([H])([H])[H],-1330.68
|
| 528 |
+
[H]OC([H])([H])C1=C([H])C([H])([H])C([H])([H])C1([H])[H],-1725.97
|
| 529 |
+
[H]C1C(=O)ON([H])C=1C([H])([H])[H],-1267.33
|
| 530 |
+
[H][C]([N]OC([H])([H])C([H])([H])[H])C([H])([H])N([H])[H],-1569.61
|
| 531 |
+
[H]C([H])=C([H])C([H])(C([H])=C([H])[H])N([H])C([H])([H])[H],-1766.81
|
| 532 |
+
[H]C1=C([H])C2([H])C([H])([H])C2([H])OC1([H])[H],-1569.15
|
| 533 |
+
[H]C([H])=C1C([H])([H])C([H])([H])C2([H])N([H])C12[H],-1514.86
|
| 534 |
+
[H]C#CC([H])([H])C(=C([H])[H])C([H])([H])C([H])([H])[H],-1747.73
|
| 535 |
+
[H]C([H])=C([H])OC([H])([H])C#N,-1151.59
|
| 536 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H],-1862.81
|
| 537 |
+
[H]N1C2([H])C(=O)C1([H])C([H])([H])C2([H])[H],-1577.48
|
| 538 |
+
[H]C([H])=C1C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H],-1791.48
|
| 539 |
+
[H]ON([H])C([H])=NC([H])=C([H])C([H])([H])[H],-1436.2
|
| 540 |
+
[H]C(=O)C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1724.6
|
| 541 |
+
[H]C(=O)C([H])([H])N([H])C([H])([H])C#N,-1661.49
|
| 542 |
+
[H]C#CC([H])(C([H])=C([H])[H])C([H])([H])O[H],-1543.28
|
| 543 |
+
[H]C#CC([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1748.27
|
| 544 |
+
[H]N=C1N(O[H])C([H])=C([H])C1([H])[H],-1445.0
|
| 545 |
+
[H]ON(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H],-1523.34
|
| 546 |
+
[H]N=C([H])N(C(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1655.91
|
| 547 |
+
[H]N1C2([H])C([H])([H])C([H])([H])C([H])([H])C12C([H])([H])[H],-1788.35
|
| 548 |
+
[H]OC1(C([H])([H])C1([H])[H])C([H])(N([H])[H])C([H])([H])[H],-1720.2
|
| 549 |
+
[H]C([H])=C(C([H])([H])N([H])[H])C1([H])N([H])C1([H])[H],-1639.72
|
| 550 |
+
[H]OC([H])([H])C(=O)N1C([H])([H])C1([H])[H],-1276.37
|
| 551 |
+
[H]C1([H])ON=C(O1)C([H])([H])C([H])([H])[H],-1380.68
|
| 552 |
+
[H]C([H])([H])OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1689.69
|
| 553 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1846.74
|
| 554 |
+
[H]C(=C([H])C1([H])OC1([H])[H])C([H])([H])C([H])([H])[H],-1695.5
|
| 555 |
+
[H]C([H])=C([H])OC([H])([H])C([H])([H])N([H])C([H])([H])[H],-1710.8
|
| 556 |
+
[H]C(=O)C([H])=C([H])C([H])([H])C([H])=O,-1390.93
|
| 557 |
+
[H]OC([H])([H])C(=O)C([H])([H])C([H])=C([H])[H],-1524.47
|
| 558 |
+
[H]OC(=O)C#CC([H])([H])[H],-1092.62
|
| 559 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1929.19
|
| 560 |
+
[H]C([H])([H])C([H])(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1989.7
|
| 561 |
+
[H]C([H])=C([H])C(=NC([H])([H])[H])N([H])C([H])([H])[H],-1656.1
|
| 562 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])N([H])C([H])([H])[H],-1713.98
|
| 563 |
+
[H]C([H])=C([H])C1([H])N([H])C1([H])[H],-1173.81
|
| 564 |
+
[H]C#CC([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1465.19
|
| 565 |
+
[H]C#CC1=NC([H])([H])C([H])([H])N1[H],-1562.75
|
| 566 |
+
[H]ON1N=C([H])C(=C1[H])C([H])([H])[H],-1313.78
|
| 567 |
+
[H][C]([N]N([H])[H])C([H])([H])OC([H])=C([H])[H],-1432.72
|
| 568 |
+
[H]C1=NN=C(C1=C([H])[H])C([H])([H])[H],-1520.58
|
| 569 |
+
[H]C(=O)OC([H])=C([H])C([H])=C([H])[H],-1392.94
|
| 570 |
+
[H]C([H])(C#N)OC([H])(C([H])([H])[H])C([H])([H])[H],-1591.14
|
| 571 |
+
[H][C](C#N)[N]N1C([H])([H])C1([H])[H],-1228.07
|
| 572 |
+
[H]C([H])([H])C#CC([H])(OC([H])([H])[H])C([H])([H])[H],-1686.97
|
| 573 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N([H])[H],-1712.95
|
| 574 |
+
[H]C1=C(C#N)OC([H])([H])C1([H])[H],-1328.72
|
| 575 |
+
[H]C([H])=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1851.8
|
| 576 |
+
[H]C1([H])OC([H])([H])C([H])([H])C([H])([H])OC1([H])[H],-1651.27
|
| 577 |
+
[H]C1=C([H])C2([H])C([H])([H])C2(C([H])([H])[H])C1([H])[H],-1780.47
|
| 578 |
+
[H]C#CC(=C([H])[H])C1([H])C([H])([H])C1([H])[H],-1602.64
|
| 579 |
+
[H]C#CC([H])(O[H])C(=O)C([H])([H])[H],-1363.62
|
| 580 |
+
[H]N1C([H])([H])C([H])([H])C2(C1([H])[H])C([H])([H])C2([H])[H],-1784.71
|
| 581 |
+
[H]C1=NC([H])([H])C(N1[H])(C([H])([H])[H])C([H])([H])[H],-1113.93
|
| 582 |
+
[H]OC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1698.79
|
| 583 |
+
[H]OC1([H])C(=NN([H])C1([H])[H])C([H])([H])[H],-1463.68
|
| 584 |
+
[H]C([H])=C([H])C([H])([H])S(=O)(=O)C([H])([H])[H],-1228.25
|
| 585 |
+
[H]N([H])C([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1487.24
|
| 586 |
+
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=O,-1665.78
|
| 587 |
+
[H]C([H])=C([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2046.71
|
| 588 |
+
[H]ON1C([H])=C([H])C(=C1[H])N([H])[H],-1312.45
|
| 589 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])C1([H])[H],-1427.98
|
| 590 |
+
[H]C1([H])N(C1([H])[H])S(=O)(=O)C([H])([H])[H],-1312.73
|
| 591 |
+
[H]C#CC([H])([H])C([H])([H])N([H])[N][C]([H])[H],-1473.46
|
| 592 |
+
[H]C1=NOC([H])([H])C([H])([H])C1([H])N([H])[H],-1439.94
|
| 593 |
+
[H][C]([N]N([H])C(=O)C([H])([H])[H])C([H])([H])[H],-1478.34
|
| 594 |
+
[H]C(=O)OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1676.76
|
| 595 |
+
[H]N([H])C(=C(C#N)C([H])([H])[H])C([H])([H])[H],-1546.78
|
| 596 |
+
[H]ON=C(C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H],-1580.73
|
| 597 |
+
[H]C([H])=C1C([H])([H])N([H])C2([H])C([H])([H])C12[H],-1789.96
|
| 598 |
+
[H]OC1=C([H])OC([H])=C1[H],-1103.89
|
| 599 |
+
[H]N([H])C1([H])C2([H])OC([H])([H])OC21[H],-1372.75
|
| 600 |
+
[H]C([H])=NN(C(=O)C([H])([H])[H])C([H])([H])[H],-1467.24
|
| 601 |
+
[H]C1=NOC(C([H])=C([H])[H])=C1[H],-1314.58
|
| 602 |
+
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1546.22
|
| 603 |
+
[H][C]([H])[N]OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1548.81
|
| 604 |
+
[H]N(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1910.13
|
| 605 |
+
[H][C]([N]OC([H])([H])[H])OC([H])=C([H])[H],-1350.24
|
| 606 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1926.32
|
| 607 |
+
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H],-1626.31
|
| 608 |
+
[H]C#CC1([H])N(C([H])=N[H])C1([H])[H],-1338.98
|
| 609 |
+
[H]C#CC([H])(O[H])C([H])(N([H])[H])C([H])([H])[H],-1560.92
|
| 610 |
+
[H]OC([H])([H])C1([H])C(=O)C([H])([H])N1[H],-1590.5
|
| 611 |
+
[H]C([H])=C([H])C#CC1([H])C([H])([H])C1([H])[H],-1608.86
|
| 612 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])=O,-1216.97
|
| 613 |
+
[H]C([H])=C([H])C(=C([H])[H])C1([H])OC1([H])[H],-1555.34
|
| 614 |
+
[H]C1ON=C(C=1[H])C([H])([H])C([H])([H])[H],-1457.93
|
| 615 |
+
[H]N([H])C([H])([H])C1(OC1([H])[H])C([H])([H])[H],-1418.65
|
| 616 |
+
[H]C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1867.81
|
| 617 |
+
[H]C1=NN([H])C([H])(C([H])([H])[H])C1([H])[H],-1363.69
|
| 618 |
+
[H]O[N][C]([H])C([H])([H])[H],-816.7
|
| 619 |
+
[H]N([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1714.08
|
| 620 |
+
[H]OC([H])(C([H])=C([H])[H])C1([H])C([H])([H])C1([H])[H],-1702.27
|
| 621 |
+
[H]C1=NN([H])C([H])([H])C([H])([H])C([H])([H])O1,-1454.59
|
| 622 |
+
[H]C([H])=C([H])C([H])([H])C#CC([H])([H])[H],-1455.92
|
| 623 |
+
[H]O[N]C([H])=C([H])[C]([H])OC([H])([H])[H],-1363.63
|
| 624 |
+
[H]OC([H])(C#CC([H])([H])C([H])([H])[H])C([H])([H])[H],-1696.86
|
| 625 |
+
[H]C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])N([H])[H],-1780.45
|
| 626 |
+
[H]N(C(=NC([H])([H])[H])OC([H])([H])[H])C([H])([H])[H],-1598.79
|
| 627 |
+
[H]C#CC([H])(C#N)N([H])C([H])([H])[H],-1355.63
|
| 628 |
+
[H]C([H])([H])C(=C(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.56
|
| 629 |
+
[H]C(=O)C([H])=C([H])N1C([H])([H])C1([H])[H],-1166.69
|
| 630 |
+
[H]C([H])([H])C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1549.87
|
| 631 |
+
[H]N1C([H])([H])C([H])([H])C([H])([H])C1([H])C#N,-1539.58
|
| 632 |
+
[H]OC1([H])C([H])=C([H])C2([H])N([H])C12[H],-1632.72
|
| 633 |
+
[H]C1=NN([H])C([H])=C([H])C1=O,-1312.23
|
| 634 |
+
[H]C#CC(=O)N(C([H])([H])[H])C([H])([H])[H],-1442.1
|
| 635 |
+
[H]OC([H])([H])C([H])=C([H])C([H])=C([H])[H],-1412.82
|
| 636 |
+
[H][C]([N]OC([H])([H])C([H])([H])[H])OC([H])([H])[H],-1496.96
|
| 637 |
+
[H]C#CC(OC([H])=O)=C([H])[H],-1227.06
|
| 638 |
+
[H]O[N]C([H])=C([C]([H])[H])C([H])([H])O[H],-1204.54
|
| 639 |
+
[H]OC1C([H])=C(N([H])C=1[H])C([H])([H])[H],-1485.01
|
| 640 |
+
[H]C#CC1([H])OC1([H])C([H])([H])N([H])[H],-1410.5
|
| 641 |
+
[H]OC([H])([H])C([H])(C([H])=C([H])[H])N([H])C([H])([H])[H],-1713.47
|
| 642 |
+
[H]N1C(=O)C(N([H])[H])(C([H])([H])[H])C1([H])[H],-1480.64
|
| 643 |
+
[H]C([H])([H])C#CC1([H])C([H])([H])C([H])([H])C1([H])[H],-1750.91
|
| 644 |
+
[H]C#CC1([H])N([N][C]([H])[H])C1([H])[H],-1320.04
|
| 645 |
+
[H]OC([H])([H])C(=C([H])[H])C1([H])OC1([H])[H],-1494.26
|
| 646 |
+
[H]C([H])([H])C([H])([H])C1([H])OC(=O)C1([H])[H],-1545.29
|
| 647 |
+
[H]C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1454.38
|
| 648 |
+
[H]C(=O)N1C([H])=C([H])C([H])([H])N1[H],-1602.21
|
| 649 |
+
[H]OC([H])([H])C1([H])N([H])C(=O)C1([H])[H],-1248.46
|
| 650 |
+
[H]C#CC([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1595.31
|
| 651 |
+
[H]C1C(=O)C([H])([H])C([H])(C=1[H])C([H])([H])[H],-1605.4
|
| 652 |
+
[H]C([H])=C([H])C([H])([H])C([H])=C([H])C#N,-1657.07
|
| 653 |
+
[H]C([H])([H])OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1838.28
|
| 654 |
+
[H]N([H])C1([H])C([H])([H])OC1(C([H])([H])[H])C([H])([H])[H],-1715.96
|
| 655 |
+
[H]N1C(=O)N([H])C([H])(C([H])([H])[H])C1([H])[H],-1512.44
|
| 656 |
+
[H]C1=NN(OC([H])([H])[H])C([H])=C1[H],-1307.37
|
| 657 |
+
[H]C(=O)N1N=C([H])C([H])([H])C1([H])[H],-1231.29
|
| 658 |
+
[H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H],-1917.65
|
| 659 |
+
[H]OC([H])([H])C(OC([H])([H])C([H])([H])[H])=C([H])[H],-1649.04
|
| 660 |
+
[H]C1=C([H])C([H])([H])C(=O)OC1([H])[H],-1411.36
|
| 661 |
+
[H]C([H])=C1OC([H])([H])C([H])=C1[H],-1289.94
|
| 662 |
+
[H]C1=NC([H])([H])C([H])([H])N1C([H])([H])[H],-1373.65
|
| 663 |
+
[H]C([H])=C1C([H])([H])C2([H])N([H])C1([H])C2([H])[H],-1626.66
|
| 664 |
+
[H]C1=NN([H])C([H])([H])C([H])=C1[H],-1220.99
|
| 665 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1464.45
|
| 666 |
+
[H]C1SC([H])=C(C=1[H])N([H])C([H])([H])[H],-1317.18
|
| 667 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[H],-1555.89
|
| 668 |
+
[H]C1([H])ON=C(C([H])([H])[H])C([H])([H])O1,-1370.72
|
| 669 |
+
[H]C#CC([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1752.4
|
| 670 |
+
[H]OC1(C([H])=C([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1701.34
|
| 671 |
+
[H]N([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1417.09
|
| 672 |
+
[H]OC1(C([H])([H])N([H])[H])C([H])([H])N([H])C1([H])[H],-1581.98
|
| 673 |
+
[H]C1=C(OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1725.39
|
| 674 |
+
[H]C1ON=C(C#N)C=1[H],-1059.16
|
| 675 |
+
[H]O[N][C]([H])C([H])([H])C([H])([H])C([H])([H])O[H],-1575.71
|
| 676 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])OC1([H])[H],-1515.17
|
| 677 |
+
[H]C(=O)OC([H])=C([H])C([H])([H])[H],-1237.65
|
| 678 |
+
[H]C1=NOC([H])([H])C([H])([H])C1=O,-1570.62
|
| 679 |
+
[H]C#CC(=NC([H])([H])[H])N([H])C([H])([H])[H],-1490.57
|
| 680 |
+
[H]C([H])=C([H])C1([H])C([H])=C([H])C([H])([H])N1[H],-1537.08
|
| 681 |
+
[H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1916.81
|
| 682 |
+
[H]OC([H])([H])C([H])([H])C#CC([H])=O,-1363.75
|
| 683 |
+
[H]OC([H])([H])C([H])(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1587.63
|
| 684 |
+
[H][N][C]1OC([H])=C([H])N1C([H])([H])[H],-1342.31
|