smiles,u0_atom
[H]OC1([H])C([H])([H])C1(O[H])C([H])([H])[H],-1353.17
[H][N][C]([H])N1C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1101.34
[H]C#CC1C([H])=NN([H])C=1[H],-1465.07
[H]N([H])C(=NC([H])([H])[H])C(=O)C([H])([H])[H],-1486.63
[H]C#CC([H])(O[H])C([H])=C([H])C([H])([H])[H],-1547.75
[H]C#CC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1684.45
[H]N=C(N([H])O[H])C([H])([H])C([H])([H])C([H])([H])[H],-1580.76
[H]N(C([H])([H])C#CC([H])([H])[H])C([H])([H])C([H])([H])[H],-1762.25
[H]N(C([H])([H])[H])C([H])(C#N)C#N,-1260.42
[H]OC1=C([H])SC(=C1[H])C([H])([H])[H],-1249.91
[H]OC(=O)C1([H])N([H])C1([H])C([H])([H])[H],-1414.88
[H]ON=C(C([H])=C([H])[H])C([H])([H])N([H])[H],-1329.87
[H][C]([H])[N]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1774.05
[H]N=C([H])N([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1660.55
[H]N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1471.15
[H]OC1(C#N)C([H])([H])N([H])C1([H])[H],-1320.68
[H][N][C]1OC([H])([H])C(=C([H])[H])N1[H],-1351.03
[H]C1=C([H])C(OC1([H])[H])(C([H])([H])[H])C([H])([H])[H],-1722.74
[H]C([H])([H])C([H])([H])C#CC1([H])C([H])([H])C1([H])[H],-1750.87
[H]C(=O)C([H])=C(C#N)N([H])[H],-1283.59
[H]C1=NOC([H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1575.73
[H]C([H])=C([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1914.15
[H][C]([N]N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1777.79
[H]C(=O)C([H])([H])C([H])=C([H])C([H])([H])[H],-1423.2
[H]C(=O)C(=O)N1C([H])([H])C1([H])[H],-2190.69
[H][C]([H])[N]N([H])C([H])([H])C([H])([H])C([H])=O,-1444.04
[H]C([H])([H])C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1848.14
[H]N([H])C([H])([H])C1([H])N([H])C([H])([H])C1([H])[H],-1488.22
[H]C([H])=C(C#CC([H])([H])N([H])[H])C([H])([H])[H],-1362.88
[H]C#CC([H])([H])N([H])[C]([H])[N]C([H])([H])[H],-1498.16
[H]N=C1N([H])C([H])([H])C([H])=C([H])C1([H])[H],-1543.11
[H]OC12C([H])([H])C([H])([H])C([H])(C1([H])[H])C2([H])[H],-1717.38
[H]C#CC(=O)C1([H])C([H])([H])C1([H])[H],-1414.02
[H]OC1([H])C([H])=C([H])C([H])(N([H])[H])C1([H])[H],-1596.76
[H][C]([H])[N][N][C](OC([H])([H])[H])C([H])([H])[H],-1449.71
[H][C]([H])[N]OC([H])([H])C([H])([H])N([H])C([H])([H])[H],-1556.97
[H]N=C([H])N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1804.98
[H]ON(C(=NC([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1568.06
[H]C1C(=NSC=1C([H])([H])[H])C([H])([H])[H],-1327.94
[H]C#CC1=C([H])C([H])([H])OC1([H])[H],-1421.13
[H]N([H])C1([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1220.58
[H]C#CC([H])([H])N([H])C([H])([H])C([H])=C([H])[H],-1609.93
[H]C#CC1(N([H])[H])C([H])([H])OC1([H])[H],-1410.16
[H]C#CC([H])([C]([H])[N]O[H])N([H])[H],-1707.16
[H]OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1696.16
[H][N][C]([H])N1C(=O)C([H])([H])C1([H])[H],-1329.81
[H]C1([H])OC2([H])C([H])([H])C([H])([H])C([H])([H])C12[H],-1681.51
[H]C(C#N)=C([H])C(=O)C([H])([H])[H],-1334.61
[H]C(OC([H])=C([H])C([H])([H])[H])=C([H])C([H])([H])[H],-1705.93
[H]C#CC([H])([H])C([H])(O[H])C([H])([H])N([H])[H],-1552.34
[H]N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1768.13
[H]C1=NN=C(OC1([H])[H])C([H])([H])[H],-1320.98
[H]N=C1SN([H])C(=C1[H])C([H])([H])[H],-1254.55
[H]OC(C([H])([H])[H])(C([H])([H])N([H])[H])C([H])([H])N([H])[H],-1739.78
[H]N([H])C([H])([H])C1([H])N([H])C1([H])C([H])([H])[H],-1490.75
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1846.64
[H]C([H])=C([H])C([H])(N([H])[H])C([H])([H])[H],-1325.98
[H]C1SC(=O)N([H])C=1C([H])([H])[H],-1327.62
[H]OC1([H])C([H])(O[H])C1(N([H])[H])C([H])([H])[H],-1517.83
[H]C1=NOC(=C1[H])C([H])([H])[H],-1163.99
[H]C(=O)C([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1442.18
[H]OC1=C([H])C([H])=C(N([H])[H])N1[H],-1350.18
[H]C(C#CC([H])([H])[H])=C([H])C([H])([H])C([H])([H])[H],-1758.48
[H]OC([H])(C([H])=O)C(=C([H])[H])C([H])([H])[H],-1522.31
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])=C([H])[H],-1847.05
[H]N=C(N([H])C([H])([H])C([H])([H])[H])C([H])([H])O[H],-1610.32
[H]C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1861.2
[H]C([H])([H])OC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1775.04
[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H],-1559.48
[H]N(N1C(=O)C([H])([H])C1([H])[H])C([H])([H])[H],-1456.7
[H]N([H])C([H])([H])C1(N(C([H])([H])[H])C1([H])[H])C([H])([H])[H],-1778.08
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])[H],-1254.7
[H]C([H])=C([H])C1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1777.48
[H]OC1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1430.36
[H]C(=O)C1([H])C([H])([H])C1([H])C([H])=O,-1389.47
[H]OC(=O)C([H])([H])C([H])=C([H])C([H])([H])[H],-1544.94
[H]N(C([H])([H])[H])C1([H])C([H])([H])OC([H])([H])C1([H])[H],-1724.69
[H][C]([C][C](C)C)C([H])([H])C([H])([H])[H],-1249.8
[H]C([H])([H])ON=C(C([H])([H])[H])C([H])([H])[H],-1405.97
[H]C1([H])C([H])([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1615.66
[H]OC([H])([H])C#CC1([H])C([H])([H])C1([H])[H],-1547.4
[H]OC([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])[H],-1643.55
[H]C([H])=C([H])C1([H])C(=O)OC1([H])[H],-1393.33
[H]C([H])=C([H])C([H])([H])C#CC([H])([H])C([H])([H])[H],-1751.29
[H]C([H])([H])C1([H])C([H])([H])C2([H])OC2([H])C1([H])[H],-1715.72
[H]C([H])=C([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-2047.43
[H]OC([H])([H])C#CC([H])([H])N([H])[H],-1266.14
[H]C([H])=C([H])C#CC([H])([H])C([H])=C([H])[H],-1608.46
[H]C#CC([H])([H])C(=NO[H])C([H])([H])[H],-1407.66
[H]N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1323.38
[H]OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1873.28
[H]C(=C([H])C1([H])OC1([H])[H])C([H])([H])[H],-1399.79
[H]C(=O)C([H])=C([H])C([H])=O,-1095.1
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])[H],-1748.56
[H]C([H])([H])C#CC([H])([H])C#CC([H])([H])[H],-1600.33
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H],-1862.52
[H]C([H])=C([H])C1(C([H])([H])[H])C([H])([H])N([H])C1([H])[H],-1616.95
[H]C([H])([H])C#CC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1898.54
[H]C(=O)C([H])(C([H])=C([H])[H])C([H])([H])[H],-1419.66
[H][C]([H])C(=C([H])[N]N([H])[H])C([H])=C([H])[H],-1497.92
[H]OC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1545.83
[H]N([H])C([H])([H])C1([H])N([H])C1(C([H])([H])[H])C([H])([H])[H],-1653.61
[H]C#CC([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1757.68
[H]OC([H])([H])C([H])([H])OC(=C([H])[H])C([H])([H])[H],-1651.32
[H]C#CC([H])([H])[C]([H])[N]OC([H])([H])[H],-1394.1
[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C#N,-1790.97
[H]C([H])=C([H])C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1909.4
[H]OC([H])([H])C1(N([H])C1([H])C([H])([H])[H])C([H])([H])[H],-1717.32
[H]C1=NN=C(OC([H])([H])[H])C1([H])[H],-1318.81
[H]OC([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1868.72
[H]C([H])=C([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1768.81
[H]ON1C([H])=NC([H])(C([H])([H])[H])C1([H])[H],-1444.08
[H]C([H])=C(OC([H])([H])[H])C(=O)C([H])([H])[H],-1521.26
[H]C([H])=C1OC([H])([H])C2([H])C([H])([H])C12[H],-1576.48
[H]C(=O)C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1861.04
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2049.8
[H]C(=O)N(C([H])=C([H])C([H])([H])[H])N([H])[H],-1465.05
[H]C([H])=C1C(=O)C([H])([H])C([H])=C1[H],-1463.66
[H]OC([H])([H])C([H])(OC([H])([H])[H])C([H])=C([H])[H],-1640.02
[H]C(=O)C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-1714.71
[H]C1C(=NN([H])C([H])([H])C=1[H])C([H])([H])[H],-1355.23
[H]C#CC([H])([H])[C]([H])[N]O[H],-1107.23
[H][C]([N]C([H])([H])[H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1801.8
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])=C([H])[H],-1638.62
[H]N1C([H])([H])C1(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1682.44
[H]C(=C(OC([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H],-1717.96
[H]O[N][C]([H])C1([H])C([H])([H])C1([H])N([H])[H],-1430.45
[H]OC([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1851.04
[H][C]([H])[N]N1C([H])([H])C1([H])C#N,-1227.88
[H]C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1697.8
[H]OC([H])(C([H])([H])[H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1860.48
[H]N([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1935.49
[H]C(=O)C([H])([H])C1([H])OC([H])([H])C1([H])[H],-1513.72
[H]C([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[H],-1837.9
[H]C([H])=C([H])C1([H])C([H])([H])N([H])C1([H])C([H])([H])[H],-1787.88
[H][N]C1=C([H])[C]([H])C([H])([H])N1[H],-1246.41
[H]OC1([H])C([H])([H])C1([H])C#CC([H])([H])[H],-1548.8
[H]C1C(=O)C([H])([H])C([H])([H])C([H])([H])C=1[H],-1607.72
[H][C]([N]C([H])([H])[H])N1C([H])([H])C([H])([H])C1([H])[H],-1646.61
[H]N([H])C1([H])C([H])([H])OC([H])([H])OC1([H])[H],-1529.77
[H]N=C1N([H])C([H])([H])C([H])([H])C1([H])O[H],-1288.1
[H]OC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])N([H])[H],-1720.5
[H]C#CC(=NO[H])OC([H])([H])[H],-1197.11
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])=O,-1523.62
[H]C([H])=C1C(=C([H])[H])C([H])([H])OC1([H])[H],-1575.68
[H]C([H])=C([H])C(=O)C#N,-1026.67
[H]C(=O)N(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1437.43
[H]C#CC1([H])N([H])C1([H])C([H])=O,-1409.99
[H]C#CC([H])([H])N([H])C([H])([H])C([H])=O,-1556.03
[H]OC(C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1564.68
[H]N=C(C(=C([H])[H])C([H])([H])[H])N([H])O[H],-1438.99
[H][C](C#N)[N]N(C([H])([H])[H])C([H])([H])[H],-1369.0
[H]C1([H])C2([H])C([H])([H])C3([H])C1([H])C3([H])C2([H])[H],-1795.0
[H]C([H])=C([H])OC([H])(C([H])=C([H])[H])C([H])([H])[H],-1700.73
[H]C1=NN([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1531.96
[H]C([H])=C(C([H])([H])OC([H])([H])[H])C([H])([H])N([H])[H],-1709.78
[H]C([H])=C1C([H])([H])OC([H])([H])C([H])([H])C1([H])[H],-1720.57
[H]C([H])([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1868.5
[H]OC([H])(C([H])=C([H])C([H])=C([H])[H])C([H])([H])[H],-1711.81
[H]C#CC1=NSN=C1[H],-1146.11
[H]C([H])([H])OC([H])(OC([H])([H])[H])C([H])([H])C([H])([H])[H],-1781.76
[H]C#CC([H])(C([H])([H])[H])C1([H])N([H])C1([H])[H],-1912.27
[H]C([H])=C(C([H])([H])[H])C1([H])OC1([H])C([H])([H])[H],-1701.45
[H]N1C([H])([H])C(N([H])[H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1221.89
[H]C#CC1([H])C([H])([H])C1([H])N([H])[H],-1323.05
[H]C1=NC([H])([H])C(=O)C([H])([H])N1[H],-1486.5
[H]C([H])=C(C([H])([H])[H])C([H])([H])C#CC([H])([H])[H],-1755.16
[H]C1=C([H])C([H])(N([H])[H])C([H])([H])N([H])C1([H])[H],-1663.65
[H]N1C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1800.01
[H]N1C([H])([H])C([H])([H])C2(OC2([H])[H])C1([H])[H],-1582.33
[H]N1C([H])([H])C2([H])C([H])([H])C2([H])C1([H])C([H])([H])[H],-1793.64
[H]N1C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1321.12
[H]C([H])=C([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1695.1
[H]C(=O)OC(=C([H])[H])C([H])([H])C([H])([H])[H],-1531.53
[H]N([H])C1([H])C([H])([H])C([H])(N([H])[H])C1([H])[H],-1488.97
[H]C(=O)C#CC#N,-857.15
[H]N=C(C(=C([H])[H])C([H])=C([H])[H])N([H])[H],-1523.27
[H]C1=NOC([H])([H])C(=C1[H])N([H])[H],-1312.75
[H]C([H])=C([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1906.7
[H][C]([H])[N]N([H])C1([H])C([H])([H])C1([H])[H],-1326.7
[H]C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1391.77
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H],-1851.53
[H]N([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1234.36
[H]C#CC(=NN([H])C([H])([H])[H])C([H])([H])[H],-1478.38
[H]C([H])=C([H])C([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1919.97
[H]C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],-1451.06
[H]C1=NC([H])([H])C(=C([H])[H])N1[H],-1242.71
[H][C]([N]N([H])C([H])=O)C([H])([H])C([H])([H])[H],-1471.89
[H]C([H])([H])C([H])([H])C([H])([H])C(=O)C#N,-1468.02
[H]C1([H])C(=O)C2([H])C([H])([H])N1C2([H])[H],-1566.74
[H]C([H])([H])C1([H])OC([H])([H])C([H])([H])OC1([H])[H],-1656.57
[H]C#CS(=O)(=O)C([H])([H])O[H],-1293.13
[H]N([H])C1(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1383.1
[H][N][C]1N([H])OC([H])(C([H])([H])[H])C1([H])[H],-1448.29
[H]C([H])=C1OC([H])=C([H])C1([H])N([H])[H],-1453.64
[H]C([H])=C([H])C([H])=C([H])C(=O)N([H])[H],-1472.88
[H]C(=O)C1(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1710.63
[H]C#CC(O[H])(C([H])([H])[H])C([H])([H])[H],-1398.32
[H]N(C([H])([H])[H])C([H])([H])[H],-871.19
[H]C([H])=C([H])C1([H])C([H])=C([H])C([H])=C1[H],-1639.01
[H]OC1([H])C([H])([H])C([H])([H])C([H])(O[H])C1([H])[H],-1668.94
[H]C(=O)N(C(=C([H])[H])C([H])([H])[H])N([H])[H],-1463.46
[H]N([H])N=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1782.84
[H]OC([H])(C(=C([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1850.64
[H]C(=O)N(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1598.01
[H]N([H])C([H])([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1929.2
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H],-1783.81
[H]OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H],-1545.17
[H]OC([H])([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1846.75
[H]C1OC([H])(OC([H])([H])[H])C([H])([H])C=1[H],-1516.52
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1787.78
[H]OC1=C(C([H])=C([H])N1[H])C([H])([H])[H],-1482.36
[H]N1C(=O)C([H])(N([H])C([H])([H])[H])C1([H])[H],-1471.92
[H]OC([H])([H])C([H])=C([H])[H],-958.05
[H]OC([H])([H])C(N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1867.1
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-2045.98
[H]N1C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1324.02
[H]C#CC#CC([H])(O[H])C([H])([H])[H],-1388.3
[H]OC1(C([H])([H])[H])C([H])([H])N([H])C([H])([H])C1([H])[H],-1735.96
[H]C1=NN([H])C([H])=C1C([H])([H])[H],-1253.88
[H]C#CC#CC([H])=NN([H])[H],-1179.93
[H]N([H])C([H])([H])C1([H])N(C([H])([H])C([H])([H])[H])C1([H])[H],-1779.55
[H]OC([H])(C([H])=O)C([H])([H])C([H])=C([H])[H],-1519.52
[H]C([H])=C1OC([H])=C([H])C1([H])[H],-1288.11
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1466.4
[H]N1C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1354.98
[H]C1C([H])=C([H])C([H])([H])C=1[H],-1194.16
[H]C([H])=C([H])C([H])([H])OC([H])([H])OC([H])([H])[H],-1635.59
[H]C1([H])OC([H])([H])C2([H])C([H])([H])C2([H])O1,-1506.06
[H]N=C1C([H])=C([H])C(=O)N1[H],-1234.76
[H]ON([C]([H])[N]C([H])([H])C([H])([H])[H])C([H])([H])[H],-1569.14
[H]OC1([H])C([H])(N([H])[H])C([H])([H])C1([H])N([H])[H],-1590.07
[H]C#CC1(N([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1611.47
[H]N([H])C(=O)C1([H])OC1([H])C([H])([H])[H],-1407.06
[H]C#CC([H])(O[H])C(=O)N([H])[H],-1489.79
[H]N1C([H])([H])C(=O)C2([H])C([H])([H])C12[H],-1534.68
[H]N=C(C#CC([H])=O)N([H])[H],-2192.0
[H]C1=C([H])C([H])([H])C(=O)N1[H],-1193.68
[H]OC([H])([H])C(OC([H])=C([H])[H])=C([H])[H],-1502.54
[H]C([H])([H])OC([H])(OC([H])([H])C([H])([H])[H])C([H])([H])[H],-1785.2
[H]C#CC([H])([H])N([H])C([H])=O,-1151.39
[H]C(=O)C([H])=C([H])C1([H])N([H])C1([H])[H],-1571.0
[H]OC([H])([H])C(=C([H])C#N)N([H])[H],-1274.29
[H]C1C(=C([H])N([H])C=1C([H])([H])[H])C([H])([H])[H],-1779.98
[H]C(=C(OC([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1844.17
[H]C1=C(C([H])([H])[H])C([H])(N([H])C1([H])[H])C([H])([H])[H],-1787.4
[H]OC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1851.04
[H]C1OC([H])(OC=1[H])C([H])([H])C([H])([H])[H],-1517.58
[H]OC([H])([H])C1([H])OC([H])([H])C1([H])[H],-1347.5
[H]N([H])C([H])([H])C#CC([H])([H])[H],-1174.66
[H]C1([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1897.37
[H]C1OC(=C(C=1[H])N([H])[H])C([H])([H])[H],-1475.01
[H]N([H])C(=O)N([H])C1([H])C([H])([H])C1([H])[H],-1494.41
[H][C](C#N)[N][N][C]([H])C([H])([H])[H],-1252.2
[H]C1=NC([H])([H])C2([H])N1C([H])([H])C2([H])[H],-1520.53
[H]C1C(=NN([H])C=1[H])OC([H])([H])[H],-1343.03
[H]N1C(=O)C([H])([H])C2([H])N1C2([H])[H],-1920.23
[H]C1([H])OC2([H])C([H])([H])C([H])(O1)C2([H])[H],-1499.33
[H]C1SC(=C(C=1[H])N([H])[H])N([H])[H],-1246.53
[H]N1C([H])(C([H])([H])[H])C([H])([H])C2([H])C([H])([H])C12[H],-1785.3
[H]C#CC1([H])N([H])C([H])([H])C1([H])O[H],-1319.54
[H]N=C([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1797.33
[H]C([H])=C([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1846.22
[H]C(C(=O)N([H])[H])=C([H])C([H])([H])C([H])([H])[H],-1619.98
[H]C(=O)C#CC#CC([H])([H])[H],-1260.65
[H]OC([H])([H])C1([H])OC([H])([H])C1([H])C([H])([H])[H],-1646.83
[H]OC([H])([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1645.94
[H][C]([H])[N]OC([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1565.05
[H][C]([H])[N]OC1([H])C([H])([H])C1([H])[H],-1248.65
[H]C([H])=C([H])OC([H])(C([H])([H])[H])C([H])([H])N([H])[H],-1717.64
[H]C([H])([H])C1([H])C([H])([H])C([H])(C#N)C1([H])[H],-1656.48
[H]OC([H])(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H],-1672.59
[H]C1C(=O)C([H])([H])C([H])([H])N([H])C=1[H],-1368.94
[H]C#CC([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1769.89
[H]C([H])=C([H])C([H])(OC([H])([H])[H])OC([H])([H])[H],-1634.75
[H]N=C(N([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1664.72
[H]C1=NN=C(C([H])=C([H])[H])C1([H])[H],-1525.09
[H]C#CC(O[H])(C([H])([H])[H])C([H])([H])O[H],-1494.09
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1904.48
[H]C#CC([H])(C#C[H])N([H])[H],-1158.3
[H]OC([H])([H])C1([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1847.74
[H]N([H])C1([H])C(=O)N(C([H])([H])[H])C1([H])[H],-1477.71
[H]C([H])=C(C([H])([H])[H])C([H])([H])C(=O)N([H])[H],-1618.54
[H]C(C#N)=C(OC([H])([H])[H])C([H])([H])[H],-1457.72
[H]OC1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1848.73
[H]OC(=O)C([H])([H])C(=C([H])[H])C([H])([H])[H],-1545.31
[H]C(=O)C1([H])C([H])([H])C1([H])C([H])=C([H])[H],-1571.73
[H]C#CC(O[H])(C([H])=C([H])[H])C([H])([H])[H],-1545.88
[H]C#CC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1891.5
[H]C(=O)C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1722.74
[H]OC1(C([H])([H])[H])C([H])([H])C(=O)C1([H])[H],-1527.51
[H]C1C([H])=C(SC=1N([H])[H])C([H])([H])[H],-1449.89
[H]N1C([H])([H])C1([H])[H],-725.93
[H]C(C(=O)OC([H])([H])[H])=C([H])C([H])([H])[H],-1540.83
[H]C([H])([H])C(=O)C([H])([H])C#N,-1178.33
[H]C1=NOC([H])([H])C([H])=C([H])O1,-1221.64
[H]OC([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1417.04
[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1995.12
[H][C](C([H])=C([H])[H])C([H])=C([H])[N]N([H])[H],-1505.19
[H]C([H])=C1C([H])([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1426.9
[H]O[N]C([H])=C([C]([H])[H])C([H])([H])C([H])([H])[H],-1566.5
[H]OC1([H])C(=O)C([H])([H])N([H])C1([H])[H],-1591.66
[H]C#CC(=O)C([H])(C([H])([H])[H])C([H])([H])[H],-1563.68
[H]C1([H])C([H])([H])C1([H])C1([H])C([H])([H])C1([H])[H],-1600.75
[H]C#CC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1360.81
C([H])([H])([H])[H],-417.96
[H]OC1C([H])=C([H])N([H])C=1N([H])[H],-1352.8
[H]C([H])([H])N1C([H])([H])C1([H])C([H])([H])[H],-1315.9
[H]OC([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])N([H])[H],-1718.54
[H]C#CC#CC([H])=O,-955.38
[H]O[N][C]([H])C(O[H])(C([H])([H])[H])C([H])([H])[H],-1508.07
[H]OC1=C([H])SC([H])=C1[H],-1077.68
[H]C([H])=C([H])OC([H])([H])C([H])=C([H])C([H])([H])[H],-1703.05
[H][C]([N]N([H])C([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1634.06
[H]N1C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1617.95
[H]C1=NC([H])([H])C([H])(C#N)N1[H],-1281.77
[H]C1=C([H])C2([H])C([H])([H])C2([H])C([H])([H])C1([H])[H],-1917.42
[H]C1OC([H])=C([H])C=1[H],-1006.35
[H]N=C(C([H])=C([H])[H])N([H])C([H])=O,-1350.15
[H]N(C([H])([H])[H])C([H])([H])C([H])(C#N)C([H])([H])[H],-1665.68
[H]C1([H])OC2([H])C([H])([H])C2([H])C([H])([H])C1([H])[H],-1710.51
[H]OC([H])(C#N)C([H])([H])C([H])=C([H])[H],-1456.81
[H]C1([H])C2([H])OC2([H])C2([H])OC12[H],-1359.16
[H]C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1690.79
[H]C(C#N)=C([H])C([H])([H])C([H])([H])C([H])([H])[H],-1660.91
[H]C([H])=C([H])C(=C([H])C([H])([H])[H])C([H])([H])[H],-1615.41
[H]C#CC(=NOC([H])([H])[H])C([H])([H])[H],-1398.71
[H]C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1552.8
[H]OC([H])(C([H])=C([H])C([H])([H])[H])C([H])([H])N([H])[H],-1725.7
[H]C1=C([H])C2([H])N([H])C2([H])C1([H])N([H])[H],-1514.99
[H]OC([H])([H])C([H])(C([H])=C([H])C([H])([H])[H])C([H])([H])[H],-1852.14
[H]C(=O)OC([H])=C(C([H])([H])[H])C([H])([H])[H],-1536.8
[H]C(=O)N([H])OC([H])([H])C([H])([H])C([H])([H])[H],-1512.49
[H]C#CC([H])([H])C([H])([H])[C]([H])[N]N([H])[H],-1478.87
[H]O[N][C]([H])C([H])([H])C([H])([H])N([H])C([H])([H])[H],-1569.91
[H]C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])(C)C([H])([H])[H],-1230.86
[H]OC1(C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H],-1638.95
[H][C]([N]OC([H])([H])C([H])([H])[H])N([H])C([H])([H])[H],-1572.65
[H]OC1([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1850.31
[H]C1C([H])=C([H])C([H])(N([H])[H])C([H])([H])C=1[H],-1656.46
[H]C1C(=NC([H])([H])[H])SN([H])C=1[H],-1310.14
[H]C(=O)C1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1593.63
[H]C#CC([H])([H])C([H])([H])[H],-1003.91
[H]C1([H])OC([H])([H])C2(OC2([H])[H])C1([H])[H],-1509.54
[H]C1([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C1([H])C2([H])[H],-1244.22
[H]C#CC(=O)O[N][C]([H])[H],-1073.75
[H]C([H])([H])OC1([H])C([H])([H])C1([H])[H],-1242.47
[H][C]([H])[N]N([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1626.31
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-2047.3
[H]N([H])C1([H])C2([H])N([H])C([H])([H])C([H])([H])C12[H],-1652.24
[H][C]([H])[N]OC1([H])C([H])([H])OC1([H])[H],-1343.02
[H]C(=O)C([H])([H])C([H])([H])OC([H])([H])[H],-1355.73
[H]OC([H])(C([H])=O)C([H])=C([H])[H],-1222.74
[H]C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1861.9
[H]C#CC([H])=C([H])C([H])=C([H])[H],-1316.15
[H]C#CC(=O)C([H])([H])O[H],-1068.2
[H]C1=C([H])C2(N([H])[H])C([H])([H])C1([H])C2([H])[H],-1622.65
[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.05
[H]N=C(N(C([H])=O)C([H])([H])[H])C([H])([H])[H],-1489.24
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1747.0
[H]OC1(C([H])=NN=C1[H])C([H])([H])[H],-1317.48
[H]C1=NC([H])([H])C([H])([H])C([H])(N1[H])C([H])([H])[H],-1684.45
[H]N(C([H])([H])C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1913.05
[H]C(=O)C1([H])OC1([H])C([H])([H])[H],-1215.49
[H]N1C2([H])C([H])([H])OC([H])(C([H])([H])[H])C12[H],-1578.52
[H]C([H])=C([H])C(N([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1911.6
[H]OC([H])([H])[C]([H])[N]N(C([H])([H])[H])C([H])([H])[H],-1569.11
[H]N=C1N([H])C([H])=C([H])C([H])([H])C1([H])[H],-1548.18
[H]C([H])=C([H])C(=O)C1([H])C([H])([H])C1([H])[H],-1579.47
[H]C#CC([H])=C([H])C#N,-1062.67
[H]OC([H])([H])C1([H])C([H])([H])C1(N([H])[H])C([H])([H])[H],-1717.71
[H]C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1254.21
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1631.75
[H][C]([H])[N]N1C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1914.75
[H]OS([O])([O])C#CC([H])([H])[H],-1934.67
[H]OC1(C([H])([H])C1([H])[H])C1([H])OC1([H])[H],-1496.38
[H]C([H])=C([H])C([H])=C([H])OC([H])([H])[H],-1409.41
[H]N1C([H])([H])C([H])(C([H])([H])[H])S1(=O)=O,-1246.69
[H]C([H])([H])C1([H])C([H])([H])C(=O)C1([H])[H],-1427.89
[H]OC([H])([H])C(=C([H])[H])C([H])([H])O[H],-1352.82
[H]C([H])=C([H])C1C([H])=C([H])C([H])([H])C=1[H],-1647.73
[H]C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1754.03
[H]C([H])=C([H])C([H])([H])N1C([H])([H])C([H])([H])C1([H])[H],-1761.47
[H]C([H])([H])N1C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1787.78
[H]C([H])=C([H])C([H])(N([H])[H])C1([H])OC1([H])[H],-1568.22
[H]N1C(=O)C2([H])N([H])C2([H])C1([H])[H],-1159.33
[H]C(=O)C(=C([H])[H])C1([H])N([H])C1([H])[H],-1441.33
[H]C([H])([H])C#CC([H])([H])C#N,-1207.02
[H]N([H])C1(C([H])([H])[H])C([H])([H])C1([H])OC([H])([H])[H],-1707.6
[H]N(C([H])([H])C#N)C([H])([H])C([H])([H])[H],-1370.03
[H]C1OC(OC=1[H])(C([H])([H])[H])C([H])([H])[H],-1522.11
[H]N(C([H])([H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1616.39
[H]N(C([H])([H])[H])C1([H])C([H])([H])C1([H])OC([H])([H])[H],-1699.17
[H]OC([H])(C([H])=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1849.15
[H]C1=C([H])C2([H])OC1([H])C2([H])N([H])[H],-1411.07
[H]OC([H])([H])C#CC([H])(C([H])([H])[H])C([H])([H])[H],-1694.24
[H]O[N][C]([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1563.71
[H]OC([H])(C([H])([H])[H])C([H])([H])[H],-1107.82
[H]C([H])=C([H])C([H])([H])C(C#N)=C([H])[H],-1358.14
[H]OC([H])([H])C1(O[H])C([H])([H])C1([H])N([H])[H],-1522.9
[H]N1C(=S)N([H])C2([H])C([H])([H])C12[H],-1462.95
[H]N(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C#N,-1667.04
[H]C(=O)N1C([H])([H])C1([H])C([H])=O,-1800.57
[H][N][C]([H])N1C([H])([H])C([H])([H])C1([H])[H],-1357.47
[H]C1C([H])=C(N(C=1[H])N([H])[H])C([H])([H])[H],-1333.28
[H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])N([H])C1([H])[H],-1777.89
[H]C([H])=C([H])C([H])=C([H])C([H])=C([H])[H],-1474.75
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1762.03
[H]C#CC1([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1384.23
[H]C1=NOC([H])([H])C1([H])C([H])([H])N([H])[H],-1443.59
[H]C([H])([H])C1([H])OC(=O)C1([H])C([H])([H])[H],-1546.78
[H]N=C([H])N([H])C([H])([H])C([H])=C([H])[H],-1361.99
[H][C]([N]OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1702.37
[H]C([H])=C([H])C1=C([H])C([H])([H])OC1([H])[H],-1579.87
[H]C([H])([H])OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1541.69
[H]OC([H])([H])C([H])=C([H])C([H])(O[H])C([H])([H])[H],-1652.29
[H]C([H])([H])C([H])([H])OC([H])(C#N)C([H])([H])[H],-1593.91
[H]N(C([H])([H])[H])C([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1631.67
[H]O[N][C]([H])C1([H])N([H])C([H])([H])C1([H])[H],-1419.58
[H]C([H])=C([H])C([H])=C(C#N)C([H])([H])[H],-2062.5
[H]C(=C1C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H],-1718.79
[H]C([H])([H])OC([H])([H])C1([H])OC([H])([H])C1([H])[H],-1634.58
[H]OC([H])([H])C([H])=C([H])C([H])([H])C([H])([H])O[H],-1649.99
[H]OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])O[H],-1646.88
[H]C(=O)C([H])(C(=O)N([H])[H])C([H])([H])[H],-1427.02
[H]OC1([H])C([H])([H])C([H])(C#N)C1([H])[H],-1463.31
[H]C#CC([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])[H],-1745.24
[H]C([H])=C([H])OC([H])([H])C1([H])OC1([H])[H],-1493.27
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1769.38
[H]C1=C([H])C([H])(OC1([H])[H])C([H])([H])N([H])[H],-1589.92
[H]C1=NOC([H])=C1C([H])([H])C([H])([H])[H],-1455.55
[H]C(=O)C(C(=O)C([H])([H])[H])=C([H])[H],-1395.52
[H]C#CC([H])(N([H])C([H])=N[H])C([H])([H])[H],-1501.13
[H]C#CC1OC([H])=C([H])C=1[H],-1302.02
[H]O[N][C]([H])C#CC([H])([H])C([H])([H])[H],-1409.25
[H]C(=O)OC(=C([H])[H])C([H])([H])[H],-1236.4
[H]C#C[C]([H])[N]OC([H])([H])[H],-1097.08
[H]N=C([H])N1C([H])=C([H])C([H])([H])C1([H])[H],-1537.44
[H]C#CC([H])(N([H])C([H])=O)C([H])([H])[H],-1449.08
[H]C1OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C=1[H],-1726.64
[H]N1C([H])([H])C1([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1768.31
[H]C#CC([H])(C(=O)O[H])C([H])([H])[H],-1384.56
[H]OC([H])([H])C([H])([H])OC([H])=C([H])C([H])([H])[H],-1648.52
[H]N1C2([H])C(=O)C([H])([H])C([H])([H])C12[H],-1319.41
[H]C1OC(=C(C=1[H])C([H])([H])[H])N([H])[H],-1477.93
[H]C1C(=NOC=1C([H])([H])[H])C([H])([H])[H],-1464.21
[H]C([H])=C(C#N)C([H])([H])[H],-1065.62
[H]C([H])(C#N)C(=O)C([H])([H])C([H])([H])[H],-1474.1
[H]OC1(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])N([H])[H],-1719.6
[H]C([H])([H])C([H])([H])C([H])([H])C1([H])OC1([H])[H],-1545.42
[H]N1C(=NC([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H],-1804.67
[H]C([H])=C1C([H])([H])C([H])([H])C2([H])OC12[H],-1568.85
[H]OC1([H])C([H])([H])C([H])=C(C([H])([H])[H])C1([H])[H],-1731.09
[H]OC([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])N([H])[H],-1717.26
[H][C]1O[N]N=C1C([H])([H])C([H])([H])[H],-1321.07
[H]OC1SC([H])=C(C=1[H])N([H])[H],-1440.98
[H]C([H])([H])C(=NN(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1771.21
[H][C]([N]OC([H])([H])[H])C([H])([H])[H],-1105.28
[H]C1([H])C2([H])C([H])([H])C1([H])C1([H])C([H])([H])C21[H],-1741.42
[H]C([H])([H])C1([H])C(=O)C([H])([H])C1([H])C([H])([H])[H],-1725.4
[H]C1=C([H])C2([H])N([H])C1([H])C([H])([H])C2([H])[H],-1653.9
[H]C([H])=C([H])C(=C([H])[H])C([H])([H])OC([H])([H])[H],-1698.18
[H][C]([H])[N]N(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1467.09
[H]N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])N([H])[H],-1809.1
[H]C(=O)C(C([H])=O)(C([H])([H])[H])C([H])([H])[H],-1528.92
[H]N([H])C(=O)C([H])(N([H])C([H])([H])[H])C([H])([H])[H],-1625.88
[H]C1=C([H])C2([H])N(C2([H])[H])C1([H])C([H])([H])[H],-1413.76
[H]C(=O)N1OC([H])([H])C([H])([H])C1([H])[H],-1357.61
[H]C([H])=C1N([H])C(=O)OC1([H])[H],-1300.24
[H]N1C([H])([H])C1([H])C#CC([H])([H])[H],-1320.97
[H]C(=O)N(C([H])=C([H])[H])N([H])C([H])([H])[H],-1457.02
[H]C#CC#CC#C[H],-981.05
[H]C1SC(=C([H])C=1[H])N([H])C([H])([H])[H],-1311.57
[H]C([H])([H])C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1869.34
[H]C#CC1=NN([H])C([H])=C1[H],-1659.01
[H]C1([H])OC1([H])C1([H])OC1([H])[H],-1191.44
[H]N=C(C([H])=C([H])[H])N([H])C([H])([H])[H],-1366.25
[H]C#CC(C#C[H])(C([H])([H])[H])C([H])([H])[H],-1586.9
[H]C([H])=C1C(=O)N([H])OC1([H])[H],-1246.0
[H]C#CC([H])([H])S(=O)(=O)C([H])([H])[H],-1362.13
[H]C#CC([H])([H])N([H])C([H])=N[H],-1208.21
[H]C([H])([H])OS([O])([O])C([H])([H])C([H])([H])[H],-1453.83
[H][N][C]1N([H])C([H])=C([H])C1([H])O[H],-1298.63
[H]C([H])=C(C#CC([H])([H])[H])C([H])([H])N([H])[H],-1503.27
[H]OC([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1643.22
[H]C([H])=C([H])C(=O)N(C([H])([H])[H])C([H])([H])[H],-1600.79
[H]ON=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1708.82
[H]N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1304.18
[H]C([H])=C([H])C([H])([H])C([H])(C([H])=C([H])[H])C([H])([H])[H],-1902.2
[H]C(=O)N([H])N1C([H])([H])C([H])([H])C1([H])[H],-1167.58
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1842.0
[H]OC1C([H])=C([H])N([H])C=1O[H],-1337.6
[H]C([H])=C([H])C([H])(OC([H])([H])[H])C([H])=C([H])[H],-1692.18
[H]N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])[H],-1927.87
[H]C#CC([H])(N([H])C([H])([H])[H])C([H])([H])O[H],-1555.34
[H]C([H])([H])C1(C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H],-1897.56
[H]C(=O)C([H])([H])N([H])C([H])([H])[H],-1131.72
[H][C]([H])[N]N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1777.47
[H]C1=NOC([H])([H])C([H])([H])C1=C([H])[H],-1431.6
[H]N1C([H])([H])C([H])([H])C2([H])C([H])([H])C12[H],-1485.76
[H]C#CC(=C([H])OC([H])([H])[H])C([H])([H])[H],-1548.03
[H]C#CC([H])(N([H])[H])C([H])([H])N([H])C([H])([H])[H],-1625.13
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C#N,-1667.61
[H]ON(C(=O)C([H])([H])[H])C([H])=C([H])[H],-1384.44
[H]N=C(C([H])=C([H])C([H])([H])[H])N([H])O[H],-1440.53
[H]OC1([H])C([H])([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1843.18
[H]N([H])C([H])([H])C([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1924.57
[H]N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H],-1561.49
[H]C([H])=C([H])C(=O)C#CC([H])([H])[H],-1427.95
[H]N1C([H])([H])C(=O)C1([H])[H],-993.7
[H]N(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])OC1([H])[H],-1705.49
[H]C([H])=C(C(=O)C([H])([H])[H])C([H])([H])[H],-1432.27
[H]N=C([H])N(C(=O)C([H])([H])[H])C([H])([H])[H],-1490.19
[H]C([H])=C([H])C1([H])C(=O)C([H])([H])C1([H])[H],-1575.81
[H]C1OC(=O)C([H])([H])C=1[H],-1115.25
[H]N([H])C1([H])C([H])(N([H])C([H])([H])[H])C1([H])C([H])([H])[H],-1781.56
[H]C#CC([H])(O[H])C([H])([H])C([H])([H])[H],-1395.64
[H]C#CC([C]([H])[H])=C([H])[N]O[H],-1098.8
[H]C1=NC2([H])C([H])([H])C([H])([H])C2([H])N1[H],-1531.9
[H]C1=NC([H])([H])C([H])(N1[H])C([H])([H])C([H])([H])[H],-1372.06
[H]N1C(=O)C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H],-1613.34
[H]C#CC([H])([H])C([H])([H])C(=O)O[H],-1385.49
[H]OC1([H])C([H])([H])N([H])C([H])([H])C1([H])O[H],-1470.43
[H]C([H])([H])C1([H])C2([H])OC1([H])C([H])([H])C2([H])[H],-1707.74
[H]C1=NN=C([H])C1=C([H])[H],-1082.2
[H]C1ON=C(C=1N([H])[H])C([H])([H])[H],-1330.68
[H]OC([H])([H])C1=C([H])C([H])([H])C([H])([H])C1([H])[H],-1725.97
[H]C1C(=O)ON([H])C=1C([H])([H])[H],-1267.33
[H][C]([N]OC([H])([H])C([H])([H])[H])C([H])([H])N([H])[H],-1569.61
[H]C([H])=C([H])C([H])(C([H])=C([H])[H])N([H])C([H])([H])[H],-1766.81
[H]C1=C([H])C2([H])C([H])([H])C2([H])OC1([H])[H],-1569.15
[H]C([H])=C1C([H])([H])C([H])([H])C2([H])N([H])C12[H],-1514.86
[H]C#CC([H])([H])C(=C([H])[H])C([H])([H])C([H])([H])[H],-1747.73
[H]C([H])=C([H])OC([H])([H])C#N,-1151.59
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H],-1862.81
[H]N1C2([H])C(=O)C1([H])C([H])([H])C2([H])[H],-1577.48
[H]C([H])=C1C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H],-1791.48
[H]ON([H])C([H])=NC([H])=C([H])C([H])([H])[H],-1436.2
[H]C(=O)C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1724.6
[H]C(=O)C([H])([H])N([H])C([H])([H])C#N,-1661.49
[H]C#CC([H])(C([H])=C([H])[H])C([H])([H])O[H],-1543.28
[H]C#CC([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1748.27
[H]N=C1N(O[H])C([H])=C([H])C1([H])[H],-1445.0
[H]ON(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H],-1523.34
[H]N=C([H])N(C(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1655.91
[H]N1C2([H])C([H])([H])C([H])([H])C([H])([H])C12C([H])([H])[H],-1788.35
[H]OC1(C([H])([H])C1([H])[H])C([H])(N([H])[H])C([H])([H])[H],-1720.2
[H]C([H])=C(C([H])([H])N([H])[H])C1([H])N([H])C1([H])[H],-1639.72
[H]OC([H])([H])C(=O)N1C([H])([H])C1([H])[H],-1276.37
[H]C1([H])ON=C(O1)C([H])([H])C([H])([H])[H],-1380.68
[H]C([H])([H])OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1689.69
[H]OC([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1846.74
[H]C(=C([H])C1([H])OC1([H])[H])C([H])([H])C([H])([H])[H],-1695.5
[H]C([H])=C([H])OC([H])([H])C([H])([H])N([H])C([H])([H])[H],-1710.8
[H]C(=O)C([H])=C([H])C([H])([H])C([H])=O,-1390.93
[H]OC([H])([H])C(=O)C([H])([H])C([H])=C([H])[H],-1524.47
[H]OC(=O)C#CC([H])([H])[H],-1092.62
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1929.19
[H]C([H])([H])C([H])(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1989.7
[H]C([H])=C([H])C(=NC([H])([H])[H])N([H])C([H])([H])[H],-1656.1
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])N([H])C([H])([H])[H],-1713.98
[H]C([H])=C([H])C1([H])N([H])C1([H])[H],-1173.81
[H]C#CC([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1465.19
[H]C#CC1=NC([H])([H])C([H])([H])N1[H],-1562.75
[H]ON1N=C([H])C(=C1[H])C([H])([H])[H],-1313.78
[H][C]([N]N([H])[H])C([H])([H])OC([H])=C([H])[H],-1432.72
[H]C1=NN=C(C1=C([H])[H])C([H])([H])[H],-1520.58
[H]C(=O)OC([H])=C([H])C([H])=C([H])[H],-1392.94
[H]C([H])(C#N)OC([H])(C([H])([H])[H])C([H])([H])[H],-1591.14
[H][C](C#N)[N]N1C([H])([H])C1([H])[H],-1228.07
[H]C([H])([H])C#CC([H])(OC([H])([H])[H])C([H])([H])[H],-1686.97
[H]OC1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N([H])[H],-1712.95
[H]C1=C(C#N)OC([H])([H])C1([H])[H],-1328.72
[H]C([H])=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1851.8
[H]C1([H])OC([H])([H])C([H])([H])C([H])([H])OC1([H])[H],-1651.27
[H]C1=C([H])C2([H])C([H])([H])C2(C([H])([H])[H])C1([H])[H],-1780.47
[H]C#CC(=C([H])[H])C1([H])C([H])([H])C1([H])[H],-1602.64
[H]C#CC([H])(O[H])C(=O)C([H])([H])[H],-1363.62
[H]N1C([H])([H])C([H])([H])C2(C1([H])[H])C([H])([H])C2([H])[H],-1784.71
[H]C1=NC([H])([H])C(N1[H])(C([H])([H])[H])C([H])([H])[H],-1113.93
[H]OC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1698.79
[H]OC1([H])C(=NN([H])C1([H])[H])C([H])([H])[H],-1463.68
[H]C([H])=C([H])C([H])([H])S(=O)(=O)C([H])([H])[H],-1228.25
[H]N([H])C([H])([H])C([H])([H])C1([H])N([H])C1([H])[H],-1487.24
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=O,-1665.78
[H]C([H])=C([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2046.71
[H]ON1C([H])=C([H])C(=C1[H])N([H])[H],-1312.45
[H]C([H])=C1OC([H])([H])C([H])([H])C1([H])[H],-1427.98
[H]C1([H])N(C1([H])[H])S(=O)(=O)C([H])([H])[H],-1312.73
[H]C#CC([H])([H])C([H])([H])N([H])[N][C]([H])[H],-1473.46
[H]C1=NOC([H])([H])C([H])([H])C1([H])N([H])[H],-1439.94
[H][C]([N]N([H])C(=O)C([H])([H])[H])C([H])([H])[H],-1478.34
[H]C(=O)OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1676.76
[H]N([H])C(=C(C#N)C([H])([H])[H])C([H])([H])[H],-1546.78
[H]ON=C(C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H],-1580.73
[H]C([H])=C1C([H])([H])N([H])C2([H])C([H])([H])C12[H],-1789.96
[H]OC1=C([H])OC([H])=C1[H],-1103.89
[H]N([H])C1([H])C2([H])OC([H])([H])OC21[H],-1372.75
[H]C([H])=NN(C(=O)C([H])([H])[H])C([H])([H])[H],-1467.24
[H]C1=NOC(C([H])=C([H])[H])=C1[H],-1314.58
[H]C([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1546.22
[H][C]([H])[N]OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1548.81
[H]N(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1910.13
[H][C]([N]OC([H])([H])[H])OC([H])=C([H])[H],-1350.24
[H]C1=C(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1926.32
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])[H],-1626.31
[H]C#CC1([H])N(C([H])=N[H])C1([H])[H],-1338.98
[H]C#CC([H])(O[H])C([H])(N([H])[H])C([H])([H])[H],-1560.92
[H]OC([H])([H])C1([H])C(=O)C([H])([H])N1[H],-1590.5
[H]C([H])=C([H])C#CC1([H])C([H])([H])C1([H])[H],-1608.86
[H]OC1([H])C([H])([H])C1([H])C([H])=O,-1216.97
[H]C([H])=C([H])C(=C([H])[H])C1([H])OC1([H])[H],-1555.34
[H]C1ON=C(C=1[H])C([H])([H])C([H])([H])[H],-1457.93
[H]N([H])C([H])([H])C1(OC1([H])[H])C([H])([H])[H],-1418.65
[H]C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1867.81
[H]C1=NN([H])C([H])(C([H])([H])[H])C1([H])[H],-1363.69
[H]O[N][C]([H])C([H])([H])[H],-816.7
[H]N([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1714.08
[H]OC([H])(C([H])=C([H])[H])C1([H])C([H])([H])C1([H])[H],-1702.27
[H]C1=NN([H])C([H])([H])C([H])([H])C([H])([H])O1,-1454.59
[H]C([H])=C([H])C([H])([H])C#CC([H])([H])[H],-1455.92
[H]O[N]C([H])=C([H])[C]([H])OC([H])([H])[H],-1363.63
[H]OC([H])(C#CC([H])([H])C([H])([H])[H])C([H])([H])[H],-1696.86
[H]C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])N([H])[H],-1780.45
[H]N(C(=NC([H])([H])[H])OC([H])([H])[H])C([H])([H])[H],-1598.79
[H]C#CC([H])(C#N)N([H])C([H])([H])[H],-1355.63
[H]C([H])([H])C(=C(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.56
[H]C(=O)C([H])=C([H])N1C([H])([H])C1([H])[H],-1166.69
[H]C([H])([H])C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1549.87
[H]N1C([H])([H])C([H])([H])C([H])([H])C1([H])C#N,-1539.58
[H]OC1([H])C([H])=C([H])C2([H])N([H])C12[H],-1632.72
[H]C1=NN([H])C([H])=C([H])C1=O,-1312.23
[H]C#CC(=O)N(C([H])([H])[H])C([H])([H])[H],-1442.1
[H]OC([H])([H])C([H])=C([H])C([H])=C([H])[H],-1412.82
[H][C]([N]OC([H])([H])C([H])([H])[H])OC([H])([H])[H],-1496.96
[H]C#CC(OC([H])=O)=C([H])[H],-1227.06
[H]O[N]C([H])=C([C]([H])[H])C([H])([H])O[H],-1204.54
[H]OC1C([H])=C(N([H])C=1[H])C([H])([H])[H],-1485.01
[H]C#CC1([H])OC1([H])C([H])([H])N([H])[H],-1410.5
[H]OC([H])([H])C([H])(C([H])=C([H])[H])N([H])C([H])([H])[H],-1713.47
[H]N1C(=O)C(N([H])[H])(C([H])([H])[H])C1([H])[H],-1480.64
[H]C([H])([H])C#CC1([H])C([H])([H])C([H])([H])C1([H])[H],-1750.91
[H]C#CC1([H])N([N][C]([H])[H])C1([H])[H],-1320.04
[H]OC([H])([H])C(=C([H])[H])C1([H])OC1([H])[H],-1494.26
[H]C([H])([H])C([H])([H])C1([H])OC(=O)C1([H])[H],-1545.29
[H]C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1454.38
[H]C(=O)N1C([H])=C([H])C([H])([H])N1[H],-1602.21
[H]OC([H])([H])C1([H])N([H])C(=O)C1([H])[H],-1248.46
[H]C#CC([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1595.31
[H]C1C(=O)C([H])([H])C([H])(C=1[H])C([H])([H])[H],-1605.4
[H]C([H])=C([H])C([H])([H])C([H])=C([H])C#N,-1657.07
[H]C([H])([H])OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1838.28
[H]N([H])C1([H])C([H])([H])OC1(C([H])([H])[H])C([H])([H])[H],-1715.96
[H]N1C(=O)N([H])C([H])(C([H])([H])[H])C1([H])[H],-1512.44
[H]C1=NN(OC([H])([H])[H])C([H])=C1[H],-1307.37
[H]C(=O)N1N=C([H])C([H])([H])C1([H])[H],-1231.29
[H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H],-1917.65
[H]OC([H])([H])C(OC([H])([H])C([H])([H])[H])=C([H])[H],-1649.04
[H]C1=C([H])C([H])([H])C(=O)OC1([H])[H],-1411.36
[H]C([H])=C1OC([H])([H])C([H])=C1[H],-1289.94
[H]C1=NC([H])([H])C([H])([H])N1C([H])([H])[H],-1373.65
[H]C([H])=C1C([H])([H])C2([H])N([H])C1([H])C2([H])[H],-1626.66
[H]C1=NN([H])C([H])([H])C([H])=C1[H],-1220.99
[H]N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1464.45
[H]C1SC([H])=C(C=1[H])N([H])C([H])([H])[H],-1317.18
[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[H],-1555.89
[H]C1([H])ON=C(C([H])([H])[H])C([H])([H])O1,-1370.72
[H]C#CC([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1752.4
[H]OC1(C([H])=C([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1701.34
[H]N([H])C1([H])C([H])([H])OC1([H])C([H])([H])[H],-1417.09
[H]OC1(C([H])([H])N([H])[H])C([H])([H])N([H])C1([H])[H],-1581.98
[H]C1=C(OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1725.39
[H]C1ON=C(C#N)C=1[H],-1059.16
[H]O[N][C]([H])C([H])([H])C([H])([H])C([H])([H])O[H],-1575.71
[H]C([H])=C1OC([H])([H])C([H])([H])OC1([H])[H],-1515.17
[H]C(=O)OC([H])=C([H])C([H])([H])[H],-1237.65
[H]C1=NOC([H])([H])C([H])([H])C1=O,-1570.62
[H]C#CC(=NC([H])([H])[H])N([H])C([H])([H])[H],-1490.57
[H]C([H])=C([H])C1([H])C([H])=C([H])C([H])([H])N1[H],-1537.08
[H]N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1916.81
[H]OC([H])([H])C([H])([H])C#CC([H])=O,-1363.75
[H]OC([H])([H])C([H])(N([H])[H])C1([H])C([H])([H])C1([H])[H],-1587.63
[H][N][C]1OC([H])=C([H])N1C([H])([H])[H],-1342.31