HR-machine
commited on
Commit
•
f987f61
1
Parent(s):
519d12f
Add test_data.csv
Browse files- test_data.csv +685 -0
test_data.csv
ADDED
@@ -0,0 +1,685 @@
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1 |
+
smiles,u0_atom
|
2 |
+
[H]N(C(=O)N([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1633.9
|
3 |
+
[H]N1C([H])([H])C1([H])C#CC#N,-1211.76
|
4 |
+
[H]C#C[H],-404.88
|
5 |
+
[H]C([H])([H])C([H])([H])C#CC([H])([H])C([H])([H])[H],-1601.6
|
6 |
+
[H]OC([H])([H])C([H])(OC([H])([H])[H])C([H])([H])N([H])[H],-1655.68
|
7 |
+
[H]OC1=C([H])SC([H])=C1N([H])[H],-1549.0
|
8 |
+
[H][N][C]1N([H])C([H])=C([H])C1([H])[H],-1247.32
|
9 |
+
[H]OC1([H])C([H])([H])C1([H])C#N,-1159.21
|
10 |
+
[H]N=C(N([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1514.71
|
11 |
+
[H]C([H])=C([H])C1C([H])=C([H])N([H])C=1[H],-1408.87
|
12 |
+
[H]C#CC([H])([H])N([H])C(=S)N([H])[H],-1136.23
|
13 |
+
[H]C(=O)C1([H])OC1([H])C([H])([H])C([H])([H])[H],-1510.44
|
14 |
+
[H]OC([H])([H])C#CC([H])([H])C([H])=C([H])[H],-1547.63
|
15 |
+
[H]N([H])C(=O)C([H])([H])C1([H])C([H])([H])C1([H])[H],-1480.45
|
16 |
+
[H]N1C([H])([H])C1([H])C(=O)C([H])([H])[H],-1291.64
|
17 |
+
[H]OC([H])([H])C1([H])N([H])C([H])([H])C1([H])[H],-1417.79
|
18 |
+
[H]C([H])=C([H])C([H])(C#N)C#N,-1253.44
|
19 |
+
[H]C1([H])[C]2[N]O[N][C]2C1([H])[H],-1127.25
|
20 |
+
[H]N=C([H])N([H])C([H])([H])C([H])([H])C#N,-1416.53
|
21 |
+
[H]C(OC([H])([H])C([H])([H])N([H])[H])=C([H])C([H])([H])[H],-1718.14
|
22 |
+
[H]OC1([H])C(=C([H])OC1([H])[H])C([H])([H])[H],-1526.57
|
23 |
+
[H]N(C(=O)C([H])([H])OC([H])([H])[H])C([H])([H])[H],-1546.18
|
24 |
+
[H]C([H])=C([H])C(=O)C([H])([H])C#N,-1329.29
|
25 |
+
[H]C1=NN([H])C([H])([H])C([H])=C1C([H])([H])[H],-1512.81
|
26 |
+
[H][C]([N]N([H])[H])C1([H])OC1([H])C([H])([H])[H],-1436.57
|
27 |
+
[H]C(=O)C(C([H])=O)=C([H])N([H])[H],-1406.92
|
28 |
+
[H]C1=C(OC([H])([H])[H])C([H])([H])OC1([H])[H],-1510.72
|
29 |
+
[H]C1=NOC([H])([H])C([H])([H])C([H])=C1[H],-1426.58
|
30 |
+
[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1996.76
|
31 |
+
[H]C(=O)C([H])(C(=O)C([H])([H])[H])C([H])([H])[H],-1536.26
|
32 |
+
[H]C([H])([H])C1=NC([H])([H])C2([H])N1C2([H])[H],-1778.88
|
33 |
+
[H]OC([H])(C([H])([H])[H])C([H])(N([H])C([H])([H])[H])C([H])([H])[H],-1858.9
|
34 |
+
[H]C([H])=C1C([H])([H])C2([H])OC2([H])C1([H])[H],-1574.63
|
35 |
+
[H]N(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2055.34
|
36 |
+
[H]OC1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])N([H])[H],-1711.85
|
37 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[H],-1498.24
|
38 |
+
[H]C(=O)N(C(=O)C([H])([H])[H])C([H])([H])[H],-1431.75
|
39 |
+
[H]N1C([H])(C([H])([H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])[H],-1916.3
|
40 |
+
[H]C(=O)C1=C([H])C([H])([H])C([H])([H])C1([H])[H],-1600.29
|
41 |
+
[H]N1C([H])([H])C([H])([H])C1([H])C#CC([H])([H])[H],-1764.33
|
42 |
+
[H]OC([H])([H])C#CC([H])(N([H])[H])C([H])([H])[H],-1564.0
|
43 |
+
[H]C(=O)C1([H])C([H])([H])N([H])C1([H])C([H])([H])[H],-1577.64
|
44 |
+
[H]C([H])=C(OC(=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1706.3
|
45 |
+
[H]C([H])=C([H])OC([H])([H])OC([H])([H])[H],-1342.35
|
46 |
+
[H]C#CC([H])([H])OC([H])=O,-1074.69
|
47 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])(N([H])C([H])([H])[H])C([H])([H])[H],-1920.35
|
48 |
+
[H]C#CC(=C([H])[H])C([H])([H])C([H])([H])N([H])[H],-1621.15
|
49 |
+
[H][C]([H])[N]N([H])C([H])([H])C(=O)C([H])([H])[H],-1451.24
|
50 |
+
[H]C(=O)C([H])([H])C(=C([H])C([H])([H])[H])C([H])([H])[H],-1720.52
|
51 |
+
[H]C(=C([H])C([H])([H])C(=O)C([H])([H])[H])C([H])([H])[H],-1726.39
|
52 |
+
[H]C#CC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1595.95
|
53 |
+
[H]C([H])=C([H])C([H])([H])N1C([H])([H])C1([H])[H],-1464.77
|
54 |
+
[H]C(OC([H])([H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])[H],-1849.44
|
55 |
+
[H]C1=C(C([H])([H])N([H])[H])C([H])([H])N([H])C1([H])[H],-1661.05
|
56 |
+
[H]C([H])([H])C1=NC([H])([H])C([H])([H])N1C([H])([H])[H],-1673.08
|
57 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1546.36
|
58 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-2057.83
|
59 |
+
[H][C]1S[N][C]2OC([H])([H])[C]21,-1638.72
|
60 |
+
[H]N([H])N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H],-1611.5
|
61 |
+
[H]C1([H])OC2([H])C([H])([H])C2([H])OC1([H])[H],-1500.36
|
62 |
+
[H][N][C]1OC([H])([H])C([H])(N1[H])C([H])([H])[H],-1489.07
|
63 |
+
[H]C([H])([H])C(=O)OC([H])([H])C([H])([H])[H],-1387.62
|
64 |
+
[H]N1C(=NC([H])([H])[H])OC([H])([H])C1([H])[H],-1480.26
|
65 |
+
[H]C1=NN=C([H])C([H])([H])C1=C([H])[H],-1400.72
|
66 |
+
[H]C1([H])OC([H])([H])C([H])([H])C([H])([H])C1=O,-1536.19
|
67 |
+
[H]C1=NN([H])C([H])(C#N)C1([H])[H],-1264.02
|
68 |
+
[H]C1=NN=C(C([H])([H])[H])C([H])([H])C1([H])[H],-1916.74
|
69 |
+
[H]C1=C(C([H])([H])[H])C2([H])C([H])([H])C2([H])C1([H])[H],-1191.04
|
70 |
+
[H]C(=O)S(=O)(=O)C([H])=C([H])[H],-1365.48
|
71 |
+
[H]OC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])N([H])[H],-1716.69
|
72 |
+
[H]C1([H])C([H])([H])C2([H])C([H])([H])C([H])(C1([H])[H])C2([H])[H],-1522.96
|
73 |
+
[H]C([H])([H])C([H])([H])OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1988.56
|
74 |
+
[H]C(=C(OC([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1846.84
|
75 |
+
[H]C1([H])OC2([H])C([H])([H])C([H])([H])C2([H])O1,-1473.63
|
76 |
+
[H]C1=C([H])C2([H])C([H])([H])C2([H])C1([H])[H],-1480.58
|
77 |
+
[H]OC1([H])C([H])([H])C1([H])C([H])([H])C([H])=O,-1515.27
|
78 |
+
[H]OC1([H])C([H])=C([H])C([H])([H])N([H])C1([H])[H],-1495.68
|
79 |
+
[H]C#CC(=O)N([H])N([H])C([H])([H])[H],-1299.9
|
80 |
+
[H]C([H])=C(OC([H])([H])C#N)C([H])([H])[H],-1452.21
|
81 |
+
[H]C([H])=C([H])C([H])([H])N([H])C(=O)C([H])([H])[H],-1610.4
|
82 |
+
[H]OC1([H])C([H])([H])C([H])([H])C1([H])C([H])=C([H])[H],-1700.93
|
83 |
+
[H]C1C(=O)C([H])=C([H])C=1[H],-1157.14
|
84 |
+
[H][C]([H])C1OC([C]([H])[H])=C([H])C=1[H],-1455.06
|
85 |
+
[H]N1C(=O)C([H])([H])OC([H])([H])C1([H])[H],-1242.44
|
86 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])C1=O,-1398.48
|
87 |
+
[H]C1C([H])=C([H])N([H])C=1[H],-1088.23
|
88 |
+
[H]OC1([H])C([H])=NN=C([H])C1([H])[H],-1781.43
|
89 |
+
[H]N([H])C([H])([H])C1([H])OC([H])([H])C1([H])C([H])([H])[H],-1716.54
|
90 |
+
[H]C#CC([H])([H])C([H])([H])N([H])C([H])=N[H],-1507.42
|
91 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C#N,-1365.93
|
92 |
+
[H]OC1C([H])=C([H])SC=1N([H])[H],-1050.2
|
93 |
+
[H]OC1([H])C([H])([H])C([H])(C([H])=O)C1([H])[H],-1515.87
|
94 |
+
[H]OC([H])([H])C#CC([H])([H])O[H],-1195.4
|
95 |
+
[H]C#CC(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1750.8
|
96 |
+
[H]C1=C(C(=C([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H],-1766.22
|
97 |
+
[H]N([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1661.29
|
98 |
+
[H]OC([H])(C([H])=C([H])C([H])([H])N([H])[H])C([H])([H])[H],-1721.94
|
99 |
+
[H]OC([H])([H])C#CC([H])([H])C([H])([H])O[H],-1495.54
|
100 |
+
[H]OC([H])(C([H])=C([H])[H])C([H])(O[H])C([H])([H])[H],-1653.93
|
101 |
+
[H]C1([H])OC([H])([H])C([H])([H])C(=O)C1([H])[H],-1538.31
|
102 |
+
[H]C1SN=C(C=1[H])C([H])([H])C([H])([H])[H],-1446.33
|
103 |
+
[H]C([H])=C([H])C1([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1447.43
|
104 |
+
[H]C(=C([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-2050.36
|
105 |
+
[H]OC([H])([H])C([H])(N([H])[H])C1([H])N([H])C1([H])[H],-1641.02
|
106 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1304.31
|
107 |
+
[H]C([H])([H])OC1([H])C(=O)C([H])([H])C1([H])[H],-1511.16
|
108 |
+
[H]C1([H])OC(=C(O1)C([H])([H])[H])C([H])([H])[H],-1521.56
|
109 |
+
[H]N([H])C1([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1324.01
|
110 |
+
[H]C#CC([H])([H])C(=C([H])[H])C([H])([H])N([H])[H],-1618.0
|
111 |
+
[H]C1=C([H])C([H])(C([H])=C([H])C1([H])[H])N([H])[H],-1656.91
|
112 |
+
[H]C1=C([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1456.06
|
113 |
+
[H]OC1([H])C2([H])C([H])([H])N([H])C([H])([H])C12[H],-2190.06
|
114 |
+
[H]OC1C([H])=C([H])C([H])=C([H])C=1[H],-1490.85
|
115 |
+
[H]C(=O)C#CC(=O)C([H])([H])[H],-1232.58
|
116 |
+
[H]C([H])([H])OC(=O)N(C([H])([H])[H])C([H])([H])[H],-1554.6
|
117 |
+
[H]C#CC([H])(O[H])C([H])([H])C#N,-1464.84
|
118 |
+
[H]C(=C([H])C([H])([H])N([H])[H])C([H])([H])N([H])[H],-1495.0
|
119 |
+
[H][N][C]([H])N1C([H])([H])C([H])=C([H])C1([H])[H],-1535.79
|
120 |
+
[H]OC(=O)C([H])([H])C1([H])C([H])([H])C1([H])[H],-1539.55
|
121 |
+
[H]C1OC([H])([H])C(=C([H])C=1[H])C([H])([H])[H],-1583.94
|
122 |
+
[H]C#CC([H])([H])N([H])[C]([H])[N]O[H],-1278.26
|
123 |
+
[H]OC1=C([H])C(=C([H])N1[H])N([H])[H],-1354.71
|
124 |
+
[H]OC1([H])C([H])=C([H])C([H])=C([H])C1([H])[H],-1587.01
|
125 |
+
[H]C(=C([H])C([H])([H])C([H])([H])C#N)C([H])([H])[H],-1776.51
|
126 |
+
[H]N([H])C1([H])C([H])([H])C1(N([H])[H])C([H])([H])C([H])([H])[H],-1917.84
|
127 |
+
[H]C#CC([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H],-1695.8
|
128 |
+
[H]C(=C1OC([H])([H])OC1([H])[H])C([H])([H])[H],-1518.66
|
129 |
+
[H][N][C]1N(OC([H])([H])C1([H])[H])C([H])([H])[H],-1442.65
|
130 |
+
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H],-1492.09
|
131 |
+
[H]C([H])([H])C1(C([H])([H])[H])C([H])([H])OC([H])([H])C1([H])[H],-1861.33
|
132 |
+
[H]C([H])=C([H])C1=NN([H])C([H])=C1[H],-1355.73
|
133 |
+
[H]OC1(C([H])=NOC1([H])[H])C([H])([H])[H],-1377.11
|
134 |
+
[H]C(=O)C([H])([H])OC(=C([H])[H])C([H])([H])[H],-1515.29
|
135 |
+
[H]C([H])=C(OC([H])([H])[H])C1([H])N([H])C1([H])[H],-1563.7
|
136 |
+
[H]C1=N[N]S[C]1C([H])([H])C([H])([H])[H],-1175.07
|
137 |
+
[H]N1C([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])[H],-1619.42
|
138 |
+
[H]N([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1916.97
|
139 |
+
[H]C(=O)N1C([H])([H])C1([H])C([H])([H])[H],-1285.8
|
140 |
+
[H]OC1([H])C([H])([H])C1([H])C(=C([H])[H])C([H])([H])[H],-1699.02
|
141 |
+
[H]C(=O)C([H])=C([H])C(=O)C([H])([H])[H],-1395.37
|
142 |
+
[H]O[N]C([H])=C([H])[C]([H])C([H])([H])C([H])([H])[H],-1568.04
|
143 |
+
[H]C#CC#CC([H])([H])N([H])[H],-1160.48
|
144 |
+
[H]C1=NN([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1769.81
|
145 |
+
[H]O[N][C]([H])C#CC([H])([H])O[H],-1706.25
|
146 |
+
[H]C1OC([H])=C([H])C([H])(C=1[H])C([H])([H])[H],-1586.43
|
147 |
+
[H]OC([H])(C([H])=C([H])[H])C1([H])N([H])C1([H])[H],-1555.23
|
148 |
+
[H]C#CC([H])([H])C1([H])C([H])([H])C1([H])[H],-1446.88
|
149 |
+
[H]C#CC1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1747.29
|
150 |
+
[H]C([H])([H])C1(OC(=O)C1([H])[H])C([H])([H])[H],-1549.26
|
151 |
+
[H]N([H])C(=O)C#CC([H])([H])[H],-1166.9
|
152 |
+
[H]C(=O)C1([H])C([H])=NOC1([H])[H],-1283.06
|
153 |
+
[H]C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1841.38
|
154 |
+
[H]C(=O)C1C([H])=NOC=1[H],-1148.1
|
155 |
+
[H]OC([H])([H])C([H])=C(C([H])=O)C([H])([H])[H],-1520.67
|
156 |
+
[H]OC(=O)C1([H])C([H])([H])C([H])([H])C1([H])[H],-1538.19
|
157 |
+
[H]N1C([H])([H])C1([H])C1([H])N([H])C1([H])C([H])([H])[H],-1917.0
|
158 |
+
[H]C([H])=C([H])C([H])([H])C([H])=C([H])[H],-1310.13
|
159 |
+
[H]C([H])=C([H])OC([H])([H])C([H])([H])[H],-1254.62
|
160 |
+
[H]C#CC([H])=C([H])OC([H])=O,-1233.67
|
161 |
+
[H]C(=C([H])C1([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H],-1900.44
|
162 |
+
[H]OC([H])([H])C(C([H])=O)=C([H])[H],-1226.07
|
163 |
+
[H]N([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1177.16
|
164 |
+
[H]N1C([H])([H])C1([H])C(=O)C([H])([H])C([H])([H])[H],-1586.25
|
165 |
+
[H]OC([H])([C]([H])[N][N][C]([H])[H])C([H])([H])[H],-1445.16
|
166 |
+
[H][C]([N]OC1([H])C([H])([H])C1([H])[H])C([H])([H])[H],-1550.43
|
167 |
+
[H][C]([H])[N][N][C]([H])C([H])([H])C([H])([H])C([H])([H])[H],-1642.67
|
168 |
+
[H]C#CC([H])=C([H])C(=O)O[H],-1242.48
|
169 |
+
[H]OC([H])([H])C1([H])C([H])([H])C([H])(O[H])C1([H])[H],-1647.27
|
170 |
+
[H]N1C([H])([H])C([H])(C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1916.08
|
171 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])(N([H])[H])C([H])([H])[H],-1777.36
|
172 |
+
[H]C([H])=C1C([H])=C([H])C([H])=C([H])C1([H])[H],-1650.27
|
173 |
+
[H]OC1([H])C(=C([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1724.73
|
174 |
+
[H]ON=C1C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1441.97
|
175 |
+
[H][C]([N]N([H])[H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1574.3
|
176 |
+
[H]N1C([H])([H])C1([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-1765.47
|
177 |
+
[H]N([H])C1([H])C([H])([H])OC([H])([H])C([H])([H])C1([H])[H],-1734.19
|
178 |
+
[H]C([H])([H])C1([H])OC([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1863.9
|
179 |
+
[H]N([H])C1([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C12[H],-1788.59
|
180 |
+
[H]C1([H])OC([H])([H])C2([H])C([H])([H])C([H])([H])C12[H],-1686.99
|
181 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])([H])C([H])([H])N([H])[H],-1778.48
|
182 |
+
[H]N=C([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1805.02
|
183 |
+
[H]C([H])=C1OC2([H])C([H])([H])C2([H])C1([H])[H],-1573.8
|
184 |
+
[H]C(=O)C#CC([H])=O,-927.78
|
185 |
+
[H]C1OC([H])([H])C([H])(OC=1[H])C([H])([H])[H],-1522.24
|
186 |
+
[H]C1C(=O)C([H])([H])C([H])([H])C=1N([H])[H],-1492.52
|
187 |
+
[H]N(C([H])([H])[H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1910.97
|
188 |
+
[H]OC([H])([H])C1(N([H])[H])C([H])([H])C1([H])O[H],-1518.31
|
189 |
+
[H]C(=C([H])C1([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H],-1901.11
|
190 |
+
[H]OC1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])O[H],-1669.48
|
191 |
+
[H]C(=O)OC1([H])C([H])([H])C1([H])N([H])[H],-1399.77
|
192 |
+
[H]C([H])=C(OC([H])([H])[H])C1([H])OC1([H])[H],-1491.06
|
193 |
+
[H]C([H])([H])C(=O)C([H])([H])N1C([H])([H])C1([H])[H],-1580.87
|
194 |
+
[H]C([H])=C1C(=O)N([H])C([H])([H])C1([H])[H],-1489.72
|
195 |
+
[H]C(=O)N1C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1584.58
|
196 |
+
[H]C(=O)C([H])([H])C1([H])N([H])C([H])([H])C1([H])[H],-1577.99
|
197 |
+
[H]OC1([H])C([H])([H])C1(N([H])C([H])([H])[H])C([H])([H])[H],-1708.98
|
198 |
+
[H]C(=C([H])C([H])([H])C([H])(N([H])[H])C([H])([H])[H])C([H])([H])[H],-1523.05
|
199 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])C1([H])N([H])[H],-1594.39
|
200 |
+
[H]OC([H])([H])C([H])([H])N([H])C([H])([H])C([H])=C([H])[H],-1333.46
|
201 |
+
[H]C([H])([H])OC1(C([H])([H])[H])C([H])([H])C1([H])[H],-1541.69
|
202 |
+
[H]N([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1767.95
|
203 |
+
[H]C([H])([H])OC([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1688.85
|
204 |
+
[H]C1=NN([H])C2([H])C([H])([H])C2([H])O1,-1255.84
|
205 |
+
[H]N1C([H])([H])C([H])(OC([H])([H])C([H])([H])[H])C1([H])[H],-1704.23
|
206 |
+
[H]C(=O)C1([H])N([H])C1([H])C([H])([H])C([H])([H])[H],-1583.22
|
207 |
+
[H]C1SC(=C([H])C=1[H])N([H])[H],-1147.2
|
208 |
+
[H]OC([H])(C([H])=O)C([H])([H])C([H])([H])C([H])([H])[H],-1665.8
|
209 |
+
[H]OC1([H])C(=C([H])C([H])([H])C1([H])[H])C([H])([H])[H],-1729.65
|
210 |
+
[H]C([H])=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1928.82
|
211 |
+
[H]OC([H])([H])C1([H])N([H])C([H])(C([H])([H])[H])C1([H])[H],-1716.62
|
212 |
+
[H]C(=O)C(=C([H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1726.35
|
213 |
+
[H]N([H])C1([H])C([H])([H])C1(OC([H])([H])[H])C([H])([H])[H],-1708.68
|
214 |
+
[H]C([H])([H])N1C([H])([H])C1(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1785.84
|
215 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])N([H])[H],-1787.65
|
216 |
+
[H]C([H])=C([H])OC1([H])C([H])([H])C([H])([H])C1([H])[H],-1699.06
|
217 |
+
[H]OC([H])([H])C(=O)C([H])=C([H])N([H])[H],-1403.68
|
218 |
+
[H]C#CC1([H])ON=C([H])C1([H])[H],-1270.23
|
219 |
+
[H]N([H])C1([H])C([H])([H])C([H])(OC([H])([H])[H])C1([H])[H],-1707.8
|
220 |
+
[H]N1C([H])([H])C1([H])C#CC([H])([H])C([H])([H])[H],-1517.56
|
221 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-1917.04
|
222 |
+
[H]C#CC([H])=C([H])C([H])([H])C([H])([H])C([H])([H])[H],-1751.92
|
223 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C1([H])[H],-1769.87
|
224 |
+
[H]N1C(=NC([H])([H])C1([H])C([H])([H])[H])C([H])([H])[H],-1556.12
|
225 |
+
[H]ON1C([H])=C([H])C([H])=C1N([H])[H],-1318.17
|
226 |
+
[H][C]([H])[N][N][C]([H])C([H])([H])C([H])([H])[H],-1346.96
|
227 |
+
[H][C]([H])[N]N([H])C([H])([H])C#CC([H])([H])[H],-1477.68
|
228 |
+
[H]OC([H])([H])C([H])=C([H])OC([H])([H])C([H])([H])[H],-1648.43
|
229 |
+
[H]N([H])C([H])(C([H])([H])[H])C(N([H])[H])(C([H])([H])[H])C([H])([H])[H],-1936.69
|
230 |
+
[H]OC([H])(C#CC([H])([H])[H])C([H])=O,-1364.02
|
231 |
+
[H]O[N][C]([H])C(=O)C([H])=C([H])[H],-1361.2
|
232 |
+
[H]C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C1([H])C([H])([H])[H],-1901.58
|
233 |
+
[H]OC1([H])C(=O)C([H])=C([H])C1([H])[H],-1406.44
|
234 |
+
[H]N1N(C(=O)C([H])([H])C1([H])[H])C([H])([H])[H],-1477.49
|
235 |
+
[H]C1C(=C([H])C([H])(C=1[H])C([H])([H])[H])C([H])([H])[H],-1787.78
|
236 |
+
[H]C1=NSC([H])=C1OC([H])([H])[H],-1213.4
|
237 |
+
[H]C1C(=O)SN(C=1[H])C([H])([H])[H],-1260.78
|
238 |
+
[H]C#CC#CC([H])([H])N([H])C([H])([H])[H],-1450.41
|
239 |
+
[H]OC1=C([H])SC(=C1[H])N([H])[H],-1319.77
|
240 |
+
[H]C([H])=C(C#CC#N)C([H])([H])[H],-1780.5
|
241 |
+
[H][C]([N]N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1781.04
|
242 |
+
[H]C([H])([H])N1C([H])([H])C([H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1778.83
|
243 |
+
[H]C(=O)C(=O)N([H])C([H])([H])C([H])([H])[H],-1422.61
|
244 |
+
[H]N=C(N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1807.35
|
245 |
+
[H]C1=C([H])C2([H])OC2(C([H])([H])[H])C1([H])[H],-1574.88
|
246 |
+
[H]OC([H])(C(C#N)=C([H])[H])C([H])([H])[H],-1460.91
|
247 |
+
[H]C1ON=C(C=1[H])C([H])([H])N([H])[H],-1326.28
|
248 |
+
[H][N][C]([H])N1C([H])([H])C1([H])C([H])=O,-1439.64
|
249 |
+
[H]N(C([H])([H])[H])C1([H])C([H])([H])C(=O)C1([H])[H],-1585.42
|
250 |
+
[H]C([H])([H])OC1([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-1839.26
|
251 |
+
[H]OC([H])([H])C([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1796.31
|
252 |
+
[H]C#CC([H])(N([H])[H])C([H])([H])N([H])[H],-1335.94
|
253 |
+
[H]C(=O)C([H])([H])C(OC([H])([H])[H])=C([H])[H],-1515.19
|
254 |
+
[H]C([H])(C#N)OC([H])([H])C([H])([H])[H],-1294.72
|
255 |
+
[H]C1=C([H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C1([H])[H],-1924.7
|
256 |
+
[H]C([H])([H])C#CC1([H])C([H])([H])OC1([H])[H],-1546.92
|
257 |
+
[H]C(=O)C1=C([H])C([H])=C([H])C1([H])[H],-1463.99
|
258 |
+
[H]OC1([H])C([H])(N([H])[H])C1([H])C([H])([H])[H],-1416.59
|
259 |
+
[H]N([H])C1([H])C([H])([H])C1([H])OC([H])([H])C([H])([H])[H],-1708.8
|
260 |
+
[H]C#CC1([H])C([H])([H])C([H])=C([H])C1([H])[H],-1622.97
|
261 |
+
[H]C1OC([H])=C(C([H])([H])[H])C([H])([H])C=1[H],-1589.08
|
262 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C1([H])[H],-2044.34
|
263 |
+
[H]OC([H])([H])C([H])(N1C([H])([H])C1([H])[H])C([H])([H])[H],-1709.14
|
264 |
+
[H]N=C(N([H])[H])C([H])([H])C([H])([H])C([H])=O,-1192.32
|
265 |
+
[H]N([H])C([H])(C([H])([H])[H])C1([H])N([H])C([H])([H])C1([H])[H],-1785.21
|
266 |
+
[H]O[N][C]([H])C([H])([H])C([H])([H])[H],-1113.96
|
267 |
+
[H]C1=C([H])C([H])(C([H])([H])[H])C([H])([H])N([H])C1([H])[H],-1786.07
|
268 |
+
[H]N([H])C([H])([H])C1(OC1([H])C([H])([H])[H])C([H])([H])[H],-1718.44
|
269 |
+
[H]C1=C([H])C([H])([H])C2([H])N([H])C2([H])C1([H])[H],-1605.94
|
270 |
+
[H]C(OC([H])([H])C#N)=C([H])C([H])([H])[H],-1449.32
|
271 |
+
[H]C([N]N([H])[H])=C([H])[C](C([H])([H])[H])C([H])([H])[H],-1646.58
|
272 |
+
[H]C(=O)OC([H])([H])C([H])([H])C([H])([H])N([H])[H],-1584.35
|
273 |
+
[H][C]([H])[N]N(C([H])([H])[H])C([H])([H])C([H])=C([H])[H],-1615.47
|
274 |
+
[H]C(=O)C([H])([H])C([H])=C([H])C([H])=C([H])[H],-1578.44
|
275 |
+
[H]C([H])([H])C([H])([H])C([H])([H])OC([H])(C([H])([H])[H])C([H])([H])[H],-1988.07
|
276 |
+
[H]OC1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H],-1666.59
|
277 |
+
[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H],-1460.93
|
278 |
+
[H]OC([H])([H])C([H])(C#CC([H])([H])[H])N([H])[H],-1572.15
|
279 |
+
[H]N([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1767.11
|
280 |
+
[H][C]([H])[N][N][C]([H])C1([H])C([H])([H])C1([H])[H],-1493.75
|
281 |
+
[H]C([H])=C([H])C([H])(C#N)OC([H])([H])[H],-1442.27
|
282 |
+
[H]C1=NOC([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1576.91
|
283 |
+
[H]N(N=C(C#N)C([H])([H])[H])C([H])([H])[H],-1384.76
|
284 |
+
[H]N([H])C1([H])C([H])([H])OC2([H])C([H])([H])C21[H],-1580.63
|
285 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])[H],-1858.16
|
286 |
+
[H]C(=O)N1C([H])=C([H])C([H])([H])C1([H])[H],-1687.21
|
287 |
+
[H]OC1([H])C([H])([H])C1([H])[H],-956.51
|
288 |
+
[H]N1N=C(C([H])([H])[H])C2([H])C([H])([H])C12[H],-1660.28
|
289 |
+
[H]C([H])=C1OC([H])([H])C([H])([H])C1=C([H])[H],-1582.74
|
290 |
+
[H]N1C([H])([H])C2([H])C([H])([H])C([H])(C1([H])[H])C2([H])[H],-1782.09
|
291 |
+
[H]C1=NOC([H])([H])C(=C([H])[H])C1([H])[H],-1425.3
|
292 |
+
[H]N1C([H])(C([H])([H])[H])C([H])([H])S1(=O)=O,-1321.35
|
293 |
+
[H]C(=O)N1C([H])([H])C1([H])C([H])([H])N([H])[H],-1454.31
|
294 |
+
[H]OC([H])([H])C([H])(O[H])C([H])([H])C([H])([H])N([H])[H],-1564.22
|
295 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1148.58
|
296 |
+
[H]C1SC(=O)N(C=1[H])C([H])([H])[H],-1246.17
|
297 |
+
[H]N1C(=O)C([H])([H])C1([H])[H],-1018.01
|
298 |
+
[H]C([H])=C([H])C([H])(C([H])([H])[H])C1([H])N([H])C1([H])[H],-1610.75
|
299 |
+
[H]C1C([H])=C([H])C2([H])N([H])C2([H])C=1[H],-1511.06
|
300 |
+
[H]C([H])([H])C1([H])OC([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1864.23
|
301 |
+
[H]C#CC([H])([H])C1([H])OC1([H])[H],-1242.64
|
302 |
+
[H]C(C#N)=C(N([H])[H])C([H])([H])C([H])([H])[H],-1546.79
|
303 |
+
[H]C1=C2C(=C([H])N1[H])C([H])([H])N2[H],-1365.99
|
304 |
+
[H]C1SC([H])=C(C=1[H])C([H])([H])C([H])([H])[H],-1304.71
|
305 |
+
[H]N1C([H])([H])C2([H])OC([H])(C1([H])[H])C2([H])[H],-1579.89
|
306 |
+
[H]C(=O)C([H])([H])C([H])([H])[H],-973.32
|
307 |
+
[H]C1([H])OC([H])([H])C2([H])OC2([H])C1([H])[H],-1513.84
|
308 |
+
[H]C#CC1([H])C([H])([H])C1([H])[H],-1153.75
|
309 |
+
[H]C(=O)C([H])([H])N([H])C([H])([H])C([H])=O,-1182.23
|
310 |
+
[H]N1C([H])([H])C([H])([H])C2([H])OC([H])([H])C12[H],-1535.01
|
311 |
+
[H][C]1O[C]([H])[C]2[C]1N([H])C2([H])[H],-1278.85
|
312 |
+
[H]C(=O)C([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1724.52
|
313 |
+
[H]C([H])=C([H])C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H],-1900.69
|
314 |
+
[H]OC([H])([H])C([H])(N([H])C([H])([H])[H])C([H])([H])O[H],-1659.66
|
315 |
+
[H]C1=NC([H])([H])C2([H])C([H])([H])C2([H])N1[H],-1488.87
|
316 |
+
[H]C([H])([H])N1C([H])([H])C([H])([H])C1([H])C#N,-1514.79
|
317 |
+
[H]N([H])C1([H])C2([H])OC1([H])C([H])([H])C2([H])[H],-1576.92
|
318 |
+
[H]C(C#N)=C([H])C([H])([H])C#N,-1264.86
|
319 |
+
[H]C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])[H],-1477.44
|
320 |
+
[H]O[N][C]1N([H])C([H])=C([H])C1([H])[H],-1188.55
|
321 |
+
[H]OC1OC([H])=C([H])C=1C([H])([H])[H],-1406.28
|
322 |
+
[H]O[N][C]([H])N(C([H])=C([H])[H])C([H])([H])[H],-1434.55
|
323 |
+
[H]C(=O)C([H])([H])C(=O)C([H])([H])[H],-1239.64
|
324 |
+
[H]N1C([H])([H])C1([H])C([H])([H])C#CC([H])([H])[H],-1615.96
|
325 |
+
[H]OC1([H])C([H])=C([H])C([H])=C1[H],-1284.37
|
326 |
+
[H]C1=C([H])C([H])(N([H])C([H])([H])[H])C([H])([H])C1([H])[H],-1788.4
|
327 |
+
[H]C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C#N,-1595.71
|
328 |
+
[H]OC(C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],-1671.52
|
329 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=O,-1665.67
|
330 |
+
[H]C(=O)N([H])C([H])(C([H])([H])[H])C([H])([H])N([H])[H],-1624.83
|
331 |
+
[H]C1=C([H])C2([H])OC2([H])C([H])([H])C1([H])[H],-1579.67
|
332 |
+
[H]N([H])C1([H])C2([H])OC([H])([H])C1([H])C2([H])[H],-1574.53
|
333 |
+
[H]OC([H])([H])C([H])([H])C#CC([H])([H])N([H])[H],-1566.27
|
334 |
+
[H]C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-2069.4
|
335 |
+
[H]C1SC([H])=C(OC([H])([H])[H])C=1[H],-1241.55
|
336 |
+
[H]ON=C1OC([H])([H])C([H])=C1[H],-1357.53
|
337 |
+
[H]OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])O[H],-1792.51
|
338 |
+
[H]C([H])=C(OC([H])([H])C([H])=C([H])[H])C([H])([H])[H],-1703.91
|
339 |
+
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1864.13
|
340 |
+
[H]C1C(=O)N([H])C([H])([H])C=1C([H])([H])[H],-1495.25
|
341 |
+
[H]OC1([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H],-1849.53
|
342 |
+
[H]C(=O)C1([H])C([H])([H])N([H])C([H])([H])C1([H])[H],-1330.96
|
343 |
+
[H]C1=C(OC([H])([H])C1([H])C([H])([H])[H])C([H])([H])[H],-1727.3
|
344 |
+
[H]C1=C([H])C([H])([H])C(=NC([H])([H])[H])N1[H],-1537.97
|
345 |
+
[H]OC([H])([H])C([H])([H])C1([H])N([H])C([H])([H])C1([H])[H],-1583.64
|
346 |
+
[H]N([H])C1([H])C([H])(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H],-1777.61
|
347 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1857.1
|
348 |
+
[H]C([H])=C(C([H])([H])[H])C1([H])C([H])([H])OC1([H])[H],-1696.92
|
349 |
+
[H]OC([H])([H])C([H])([H])C(=NN([H])[H])C([H])([H])[H],-1585.54
|
350 |
+
[H]N([H])C1([H])C([H])([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1783.86
|
351 |
+
[H]O[N][C]([H])C#CC([H])([H])[H],-1113.95
|
352 |
+
[H]N1C([H])([H])C([H])([H])C([H])(N([H])[H])C1([H])C([H])([H])[H],-1655.54
|
353 |
+
[H][C]([N]N([H])[H])OC(=C([H])[H])C([H])([H])[H],-1438.88
|
354 |
+
[H]C(=C([H])C([H])(N([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1915.38
|
355 |
+
[H]OC1([H])C([H])([H])C1(O[H])C([H])([H])N([H])[H],-1517.15
|
356 |
+
[H]OC1([H])C([H])([H])C([H])([H])OC1([H])C([H])([H])[H],-1664.11
|
357 |
+
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])OC([H])([H])[H],-1842.09
|
358 |
+
[H]OC([H])(C(=O)N([H])C([H])([H])[H])C([H])([H])[H],-1556.54
|
359 |
+
[H]C(=O)C1([H])N([H])C([H])=NC1([H])[H],-1476.22
|
360 |
+
[H]OC1([H])C([H])([H])C([H])(N([H])[H])C1([H])C([H])([H])[H],-1719.64
|
361 |
+
[H]C1=C(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H],-1926.84
|
362 |
+
[H]N1C([H])([H])C1([H])C([H])(C#N)C([H])([H])[H],-1520.95
|
363 |
+
[H]C#CC([H])([H])C([H])([H])C1([H])OC1([H])[H],-1540.41
|
364 |
+
[H]C1=NN(C([H])([H])[H])C([H])(C([H])([H])[H])C1([H])[H],-1522.43
|
365 |
+
[H]OC1([H])C([H])([H])OC([H])([H])C([H])([H])C1([H])[H],-1665.59
|
366 |
+
[H][C]1[C]2OC([H])([H])[C]2[C]([H])N1[H],-1285.95
|
367 |
+
[H]O[N][C]([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H],-1915.19
|
368 |
+
[H]C([H])=C([H])C([H])(C(=O)N([H])[H])C([H])([H])[H],-1614.9
|
369 |
+
[H]OC([H])(C([H])([H])[H])C1([H])N([H])C1([H])[H],-1421.83
|
370 |
+
[H]OC1([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])O[H],-1651.31
|
371 |
+
[H]C1OC(=C([H])C([H])([H])[H])C([H])([H])C=1[H],-1584.95
|
372 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1401.12
|
373 |
+
[H]C(=O)C([H])([H])C1([H])N([H])C1([H])C([H])([H])[H],-1584.6
|
374 |
+
[H]OC([H])([C]([H])[N]N([H])[H])C([H])([H])C([H])([H])[H],-1582.74
|
375 |
+
[H]N(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-2056.74
|
376 |
+
[H]C(=O)C([H])(C([H])=C([H])[H])C([H])=C([H])[H],-1568.79
|
377 |
+
[H][C]([H])[N]OC(=O)C([H])([H])C([H])([H])[H],-1382.97
|
378 |
+
[H]C([H])([H])C1([H])OC1([H])C#N,-1153.6
|
379 |
+
[H][C]([H])C([H])=C([H])[N]N([H])C([H])=O,-1330.99
|
380 |
+
[H][C]([N]N([H])[H])OC1([H])C([H])([H])C1([H])[H],-1467.11
|
381 |
+
[H]C(C([H])=C([H])C([H])([H])[H])=C([H])C([H])([H])[H],-1617.64
|
382 |
+
[H]C1C(=O)C([H])([H])C(=O)C=1[H],-1280.5
|
383 |
+
[H]C(=O)C([H])(C([H])=O)C([H])([H])C([H])([H])[H],-1527.67
|
384 |
+
[H]C(=O)C#CC([H])([H])C([H])=C([H])[H],-1417.3
|
385 |
+
[H]C([H])([H])C12C([H])([H])OC([H])(C1([H])[H])C2([H])[H],-1703.44
|
386 |
+
[H][C]([H])[N]N([H])C([H])([H])C(=C([H])[H])C([H])([H])[H],-1630.44
|
387 |
+
[H]C#CC([H])([H])N([H])C1([H])C([H])([H])C1([H])[H],-1609.34
|
388 |
+
[H]OC([H])([H])C([H])([H])N(C([H])=O)C([H])([H])[H],-1547.14
|
389 |
+
[H]C#CC([H])([H])C(=O)C([H])=O,-1227.99
|
390 |
+
[H]C([H])=C(OC([H])=C([H])C([H])([H])[H])C([H])([H])[H],-1705.31
|
391 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-2049.96
|
392 |
+
[H]C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1565.57
|
393 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])[H],-1917.42
|
394 |
+
[H]OC([H])([H])C([H])([H])C([H])=C([H])C#N,-1293.47
|
395 |
+
[H]C(=O)C1([H])C([H])([H])N([H])C1([H])[H],-1278.45
|
396 |
+
[H]ON=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-1709.71
|
397 |
+
[H]OC([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[H],-1491.2
|
398 |
+
[H]C1=NOC([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1563.58
|
399 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])N([H])[H],-1327.3
|
400 |
+
[H]C#CC([H])(C#N)O[H],-993.41
|
401 |
+
[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C#N,-1602.52
|
402 |
+
[H][N]C1=C([H])[C]([H])C([H])([H])N1C([H])([H])[H],-1538.28
|
403 |
+
[H]C(=C(C([H])([H])[H])C1([H])N([H])C1([H])[H])C([H])([H])[H],-1767.66
|
404 |
+
[H]C#CC(C#N)=C([H])N([H])[H],-1243.93
|
405 |
+
[H]N([H])C1(C([H])([H])[H])C([H])([H])OC([H])([H])C1([H])[H],-1733.79
|
406 |
+
[H]N1C2([H])C([H])([H])C3([H])C([H])([H])C3([H])C12[H],-1513.63
|
407 |
+
[H]N=C1N([H])C([H])([H])C(=O)C1([H])[H],-1359.12
|
408 |
+
[H]N(C([H])([H])[H])C([H])([H])C1(N([H])C1([H])[H])C([H])([H])[H],-1779.09
|
409 |
+
[H]O[N][C]([H])C1([H])N([H])C1([H])C([H])([H])[H],-1429.95
|
410 |
+
[H]OC([H])(C([H])([H])[H])C1([H])OC1([H])C([H])([H])[H],-1647.82
|
411 |
+
[H]N=C1C(=C([H])[H])C([H])([H])C([H])([H])N1[H],-1255.13
|
412 |
+
[H]C1OC([H])=C(OC=1[H])C([H])([H])[H],-1378.41
|
413 |
+
[H]C1=C([H])C2([H])N([H])C1([H])C2([H])C([H])([H])[H],-1614.05
|
414 |
+
[H]C([H])=C(C(=C([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1905.45
|
415 |
+
[H]C(=C([H])S(=O)(=O)N([H])[H])C([H])([H])[H],-1130.81
|
416 |
+
[H]C1=NN([H])C([H])(C1([H])[H])C([H])([H])C([H])([H])[H],-1775.09
|
417 |
+
[H]OC1([H])C([H])=C([H])OC1([H])C([H])([H])[H],-1527.58
|
418 |
+
[H]C1=C([H])C2([H])C([H])([H])C2(N([H])[H])C1([H])[H],-1650.66
|
419 |
+
[H][C]([H])[N]N(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1616.05
|
420 |
+
[H]OC1([H])C([H])(OC([H])([H])[H])C1([H])C([H])([H])[H],-1631.0
|
421 |
+
[H]N([H])C(=O)C([H])([H])C([H])([H])[H],-1167.69
|
422 |
+
[H]N([H])C([H])([H])C1([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H],-1917.78
|
423 |
+
[H][C]([H])[N][N][C](C([H])([H])[H])C([H])([H])[H],-1351.27
|
424 |
+
[H]C#CC1(N([H])[H])C([H])([H])N([H])C1([H])[H],-1477.52
|
425 |
+
[H]N1N=C(C([H])([H])[H])C([H])([H])C1([H])[H],-1366.64
|
426 |
+
[H]C1=NN([H])C([H])([H])C([H])(O1)C([H])([H])[H],-1463.64
|
427 |
+
[H][C]([H])[N][N][C]([H])C([H])([H])C([H])=C([H])[H],-1496.97
|
428 |
+
[H]N([H])C([H])(C([H])([H])[H])C1([H])OC([H])([H])C1([H])[H],-1714.28
|
429 |
+
[H]OC1([H])C([H])([H])C([H])([H])C2([H])OC12[H],-1517.76
|
430 |
+
[H]C(=O)N(C([H])([H])[H])C([H])([H])C([H])=O,-1412.14
|
431 |
+
[H]C1([H])N2C3([H])C([H])([H])C([H])(C3([H])[H])C21[H],-1613.21
|
432 |
+
[H]ON1C([H])=C([H])C([H])=C1C([H])([H])[H],-1447.67
|
433 |
+
[H]C([H])(OC([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])[H],-1785.21
|
434 |
+
[H]C([H])([H])OC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])[H],-1835.68
|
435 |
+
[H]C#CC([H])([H])O[C]([H])[N]N([H])[H],-1309.47
|
436 |
+
[H]OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1990.14
|
437 |
+
[H]C#CC([H])=C([H])C([H])([H])C([H])=O,-1419.31
|
438 |
+
[H]C(=O)C([H])=C(N([H])[H])C([H])([H])C([H])([H])[H],-1605.4
|
439 |
+
[H]N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H],-1432.23
|
440 |
+
[H]C#CC(=C([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1752.37
|
441 |
+
[H]C1=C([H])C([H])([H])C(=O)N1N([H])[H],-1486.15
|
442 |
+
[H]OC([H])([H])C([H])([H])N([H])[H],-974.5
|
443 |
+
[H]C#CC([H])([H])C#CC#N,-1921.59
|
444 |
+
[H]C(=O)C(=C([H])C([H])=C([H])[H])C([H])([H])[H],-1584.04
|
445 |
+
[H][N][C]1N([H])C([H])([H])C([H])([H])C1([H])[H],-1388.77
|
446 |
+
[H]OC1([H])C([H])([H])C([H])([H])C1([H])C#N,-1323.21
|
447 |
+
[H]OC(=O)C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1549.38
|
448 |
+
[H]C([H])=C([H])C#CC#CC([H])([H])[H],-1465.04
|
449 |
+
[H]N1C([H])([H])C2([H])C([H])([H])C2(C([H])([H])[H])C1([H])[H],-1784.66
|
450 |
+
[H]C(C#N)=C([H])C([H])([H])[H],-1067.19
|
451 |
+
[H]C#CC([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H],-1762.34
|
452 |
+
[H]C#CC(=C([H])C([H])([H])[H])C([H])([H])N([H])[H],-1621.18
|
453 |
+
[H]C([H])([H])OC(=O)C([H])([H])C([H])([H])[H],-1385.01
|
454 |
+
[H]C#CC1([H])N([H])C1([H])C#C[H],-1612.99
|
455 |
+
[H]C#CC(O[H])(C([H])=O)C([H])([H])[H],-1358.06
|
456 |
+
[H]C([H])([H])[C]1S[N]N=C1C([H])([H])[H],-2191.85
|
457 |
+
[H]C([H])(C#N)N1C([H])([H])C([H])([H])C1([H])[H],-1513.26
|
458 |
+
[H]N(C([H])([H])[H])C1([H])C(=O)OC1([H])[H],-1402.78
|
459 |
+
[H]OC1([H])C([H])([H])N([H])C1([H])C([H])([H])[H],-1418.86
|
460 |
+
[H]C(OC([H])([H])[H])=C([H])C([H])([H])C#N,-1452.85
|
461 |
+
[H]C([H])=C([H])C1([H])OC1([H])C([H])([H])[H],-1401.66
|
462 |
+
[H][C]([N]C([H])([H])[H])N(C([H])=C([H])[H])C([H])([H])[H],-1655.17
|
463 |
+
[H]C1OC([H])([H])C([H])=C([H])C=1[H],-1285.91
|
464 |
+
[H][C]([N]N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1485.53
|
465 |
+
[H]C#CC([H])([H])[C]([H])[N]N([H])C([H])([H])[H],-1475.84
|
466 |
+
[H]OC([H])([H])C(=C([H])[H])C([H])([H])C([H])([H])N([H])[H],-1722.83
|
467 |
+
[H]C1=NN([H])C([H])([H])C2([H])C([H])([H])C12[H],-1504.21
|
468 |
+
[H]C1C(=C([H])N(C=1[H])C([H])([H])[H])N([H])[H],-1546.19
|
469 |
+
[H]C([H])=C([H])C1([H])C([H])([H])C1([H])C([H])=C([H])[H],-1752.67
|
470 |
+
[H]C([H])=C1C(=O)N([H])C([H])=C1[H],-1352.6
|
471 |
+
[H]C(=O)OC([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1678.48
|
472 |
+
[H]OC([H])([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],-1848.59
|
473 |
+
[H]C(=O)C([H])([H])OC([H])(C([H])([H])[H])C([H])([H])[H],-1653.82
|
474 |
+
[H]N=C(N(C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H],-1658.42
|
475 |
+
[H]OC([H])([H])C([H])=C([H])C1([H])N([H])C1([H])[H],-1411.91
|
476 |
+
[H]C1SC(=C(C=1[H])C([H])([H])[H])N([H])[H],-1419.95
|
477 |
+
[H]C([H])([H])C#CC#N,-902.44
|
478 |
+
[H]N([H])C([H])([H])C([H])([H])C([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1934.1
|
479 |
+
[H]N([H])C(=O)C1([H])N([H])C1([H])C([H])([H])[H],-1486.56
|
480 |
+
[H]C(=O)OC1([H])C([H])([H])C1([H])C([H])([H])[H],-1527.71
|
481 |
+
[H]C(=O)C1=C([H])N([H])C([H])([H])C1([H])[H],-1210.11
|
482 |
+
[H]OC([H])([H])C1=C([H])C([H])([H])OC1([H])[H],-1519.05
|
483 |
+
[H]C(=O)C([H])=C(N([H])[H])C([H])([H])[H],-1310.34
|
484 |
+
[H]OC([H])([H])C([H])=C(C([H])=C([H])[H])C([H])([H])[H],-1710.01
|
485 |
+
[H]C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],-1869.11
|
486 |
+
[H]C1SN=C(OC([H])([H])[H])C=1[H],-1241.26
|
487 |
+
[H]C#CC([H])([H])OC([H])([H])C([H])=C([H])[H],-1535.52
|
488 |
+
[H]N(C([H])([H])[H])C([H])([H])C1([H])N([H])C1([H])[H],-1480.93
|
489 |
+
[H]OC1([H])C2([H])C([H])=C([H])C1([H])C2([H])[H],-1554.7
|
490 |
+
[H]C#CC([H])([H])C([H])([H])C([H])([H])O[H],-1395.73
|
491 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C2([H])C([H])([H])C12[H],-1419.85
|
492 |
+
[H]OC1OC([H])=C(C=1[H])N([H])[H],-1277.04
|
493 |
+
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H],-2051.87
|
494 |
+
[H]C1([H])OC([H])(C#N)C([H])([H])C1([H])[H],-1466.89
|
495 |
+
[H]C1([H])C(=O)C2([H])C([H])([H])C2([H])C1([H])[H],-1594.95
|
496 |
+
[H][C]([H])C([H])=C([H])[N]N(C([H])([H])[H])C([H])([H])[H],-1627.1
|
497 |
+
[H]N1C([H])([H])C([H])([H])C([H])([H])C2([H])C([H])([H])C12[H],-1784.07
|
498 |
+
[H]ON([H])C(=O)C([H])([H])C([H])=C([H])[H],-1409.0
|
499 |
+
[H]N(C1([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H],-1764.8
|
500 |
+
[H]N(C(=S)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H],-1360.84
|
501 |
+
[H]C1C(=O)N([H])N([H])C=1C([H])([H])[H],-1353.34
|
502 |
+
[H]C1=NN(C([H])=C1[H])C([H])([H])C([H])([H])[H],-1546.96
|
503 |
+
[H]O[N][C]([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1564.14
|
504 |
+
[H]C1=C([H])C([H])([H])C(N([H])[H])(C([H])([H])[H])C1([H])[H],-1752.81
|
505 |
+
[H]N1C([H])([H])C([H])([H])C2([H])OC2([H])C1([H])[H],-1586.19
|
506 |
+
[H]N([H])C([H])(C([H])([H])[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H],-1922.02
|
507 |
+
[H]N1C2([H])C([H])([H])C([H])([H])C1([H])C2([H])C([H])([H])[H],-1779.73
|
508 |
+
[H]N([H])C1(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1644.06
|
509 |
+
[H]C#CC#CC1([H])C([H])([H])C1([H])[H],-1442.81
|
510 |
+
[H]OC1([H])C([H])(O[H])C1([H])C([H])([H])N([H])[H],-1510.39
|
511 |
+
[H]C1SC([H])=C(C=1C([H])([H])[H])C([H])([H])[H],-1376.33
|
512 |
+
[H]C1=NC([H])([H])C2(N1[H])C([H])([H])C2([H])[H],-1526.96
|
513 |
+
[H]C#CC([H])(O[H])C([H])([H])C([H])=O,-1358.73
|
514 |
+
[H]C1=C([H])C2([H])C([H])([H])C1([H])C2([H])C([H])([H])[H],-1544.19
|
515 |
+
[H]C1=C([H])C([H])(N([H])[H])C([H])([H])C1([H])N([H])[H],-1667.02
|
516 |
+
[H]C([H])=C1C(=O)C([H])([H])N([H])C1([H])[H],-1466.25
|
517 |
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[H]OC([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1992.09
|
518 |
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[H][C]([H])[N][N][C](C([H])([H])[H])C([H])([H])C([H])([H])[H],-1645.85
|
519 |
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[H]ON([C]([H])[N]C([H])([H])[H])C([H])([H])C([H])([H])[H],-1570.4
|
520 |
+
[H]C#CC([H])(C(=O)O[H])N([H])[H],-1420.14
|
521 |
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[H]OC([H])([H])C([H])(C([H])([H])O[H])C([H])([H])C([H])([H])[H],-1793.0
|
522 |
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[H]N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1942.37
|
523 |
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[H]OC([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])N([H])[H],-1717.54
|
524 |
+
[H]N=C(N1C([H])([H])C1([H])[H])C([H])([H])[H],-1350.08
|
525 |
+
[H]OC([H])(C([H])([H])[H])C1([H])OC1([H])[H],-1349.75
|
526 |
+
[H]C1=NN=C(S1)C([H])=C([H])[H],-1556.22
|
527 |
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[H]C([H])=C(C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1606.04
|
528 |
+
[H]C#CC(=C([H])C([H])=C([H])[H])C([H])([H])[H],-1613.54
|
529 |
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[H]C#CC(=O)N([H])[N][C]([H])[H],-1163.28
|
530 |
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[H]OC([H])(C(=NN([H])[H])C([H])([H])[H])C([H])([H])[H],-1586.91
|
531 |
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[H]C(=O)C(=C(N([H])[H])C([H])([H])[H])C([H])([H])[H],-1605.65
|
532 |
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[H]N1C([H])([H])C([H])([H])C(=O)C1([H])C([H])([H])[H],-1610.06
|
533 |
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[H]C1([H])C([H])([H])C([H])([H])C1([H])[H],-1155.53
|
534 |
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[H]ON1C(=NC([H])([H])C1([H])[H])C([H])([H])[H],-1447.74
|
535 |
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[H]OC([H])([H])C(=NOC([H])([H])[H])C([H])([H])[H],-1499.69
|
536 |
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[H]OC([H])([H])C1(N([H])C([H])([H])[H])C([H])([H])C1([H])[H],-1710.03
|
537 |
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[H]N([H])C([H])([H])C#CC([H])([H])C([H])([H])C([H])([H])[H],-1766.1
|
538 |
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[H]C(=O)C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H],-1653.63
|
539 |
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[H]C#CC([H])(C#C[H])C([H])=O,-1250.61
|
540 |
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[H]C([H])=C([H])C([H])([H])C(=O)N([H])C([H])([H])[H],-1609.12
|
541 |
+
[H]N1C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1153.3
|
542 |
+
[H]C([H])([H])C1([H])N2C([H])([H])C([H])([H])C1([H])C2([H])[H],-1770.01
|
543 |
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[H]OC1([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])C([H])([H])[H],-1846.58
|
544 |
+
[H]C([H])=C([H])C([H])=C([H])C(=O)C([H])([H])[H],-1588.32
|
545 |
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[H]C([H])=C([H])S([O])([O])OC([H])([H])[H],-1273.77
|
546 |
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[H]C#CC1([H])C([H])([H])C([H])([H])C1([H])O[H],-1549.64
|
547 |
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[H]O[N][C]([H])OC([H])=C([H])C([H])([H])[H],-1361.9
|
548 |
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[H]C([H])([H])C12OC([H])([H])C([H])(C1([H])[H])C2([H])[H],-1705.85
|
549 |
+
[H]C([H])(C#N)C([H])([H])C1([H])OC1([H])[H],-1450.85
|
550 |
+
[H]C#CC([H])([H])C([H])=C([H])C#N,-1519.85
|
551 |
+
[H]N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H],-1857.06
|
552 |
+
[H]N=C1SC([H])=C([H])N1C([H])([H])[H],-1799.95
|
553 |
+
[H]N=C([H])N(C([H])([H])[H])C([H])([H])C([H])([H])O[H],-1598.2
|
554 |
+
[H][C]([N]N([H])[H])OC([H])(C([H])([H])[H])C([H])([H])[H],-1585.62
|
555 |
+
[H]N1C([H])([H])C([H])(N([H])C([H])([H])[H])C1([H])C([H])([H])[H],-1771.56
|
556 |
+
[H]C1C([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])C=1[H],-1785.49
|
557 |
+
[H]OC([H])([H])C([H])([H])C(C#N)=C([H])[H],-1550.46
|
558 |
+
[H]OC([H])([H])C1(O[H])C([H])([H])C1([H])[H],-1352.41
|
559 |
+
[H][C]([H])[N][N][C]([H])C([H])(C([H])([H])[H])C([H])([H])[H],-1643.48
|
560 |
+
[H]N(C([H])([H])C#N)C1([H])C([H])([H])C1([H])[H],-1518.24
|
561 |
+
[H]OC([H])([H])C([H])([H])C([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1868.38
|
562 |
+
[H]N(C([H])([H])[H])C([H])([H])C1([H])OC1([H])[H],-1408.96
|
563 |
+
[H]C#CC([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[H],-1682.78
|
564 |
+
[H]OC([H])([H])C1([H])C([H])=NN=C1[H],-1348.14
|
565 |
+
[H]N1C(=O)C([H])([H])C([H])([H])C1([H])[H],-1335.4
|
566 |
+
[H]OC1([H])C([H])=C([H])OC1=C([H])[H],-1384.18
|
567 |
+
[H]C1=C([H])C2([H])C([H])([H])C1([H])C2([H])N([H])[H],-1619.78
|
568 |
+
[H]C([H])=C([H])C(=C([H])[H])C([H])([H])[H],-1317.7
|
569 |
+
[H]N([H])C([H])([H])C1([H])OC1(C([H])([H])[H])C([H])([H])[H],-1718.88
|
570 |
+
[H]C([H])=C([H])C([H])=C([H])C([H])([H])OC([H])([H])[H],-1699.95
|
571 |
+
[H]OC([H])([H])C([H])(C#N)C([H])([H])C([H])([H])[H],-1602.66
|
572 |
+
[H]N(C(=NC([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-1799.4
|
573 |
+
[H]C([H])=C([H])C(OC([H])([H])[H])=C([H])[H],-1408.99
|
574 |
+
[H]C1=C([H])C([H])([H])OC([H])([H])OC1([H])[H],-1514.13
|
575 |
+
[H][C]([N]N1C([H])([H])C1([H])[H])OC([H])([H])[H],-1425.93
|
576 |
+
[H]C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-2064.84
|
577 |
+
[H]OC([H])([H])C1([H])N([H])C([H])=NC1([H])[H],-1277.85
|
578 |
+
[H]C([H])=C(C([H])([H])[H])C([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1919.56
|
579 |
+
[H]C1=C(C([H])([H])[H])C([H])([H])C(=O)N1[H],-1492.43
|
580 |
+
[H]C#CC([H])([H])C([H])([H])OC([H])=C([H])[H],-1545.23
|
581 |
+
[H]C(=C([H])C([H])([H])OC([H])([H])[H])C([H])([H])[H],-1544.53
|
582 |
+
[H]N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])(N([H])[H])C([H])([H])[H],-1928.05
|
583 |
+
[H]N([H])N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[H],-1607.4
|
584 |
+
[H]OC([H])(C([H])([H])C([H])=O)C([H])([H])C([H])([H])[H],-1662.49
|
585 |
+
[H]C1=C([H])C([H])([H])C2(OC2([H])[H])C1([H])[H],-1575.75
|
586 |
+
[H]N=C([H])N1C([H])([H])C(=O)C1([H])[H],-1467.55
|
587 |
+
[H]C#CC#CC#N,-884.17
|
588 |
+
[H]C([H])=C([H])C(C(=O)N([H])[H])=C([H])[H],-1318.47
|
589 |
+
[H]OC([H])(C#N)C([H])([H])C([H])([H])C([H])([H])[H],-1599.7
|
590 |
+
[H]C([H])=C1C([H])([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1493.62
|
591 |
+
[H]C#CC1([H])C([H])([H])OC1([H])C([H])([H])[H],-1545.09
|
592 |
+
[H]C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])C1([H])[H],-2046.34
|
593 |
+
[H]C(C(=O)N([H])[H])=C(N([H])[H])C([H])([H])[H],-1508.36
|
594 |
+
[H]C([H])=C1OC([H])=C(C([H])([H])[H])C1([H])[H],-1587.61
|
595 |
+
[H]C([H])([H])C(=O)C#CC#N,-1161.81
|
596 |
+
[H]C(=O)C([H])([H])C1([H])OC1([H])C([H])([H])[H],-1513.66
|
597 |
+
[H]C1=C([H])C2([H])OC1([H])C2([H])C([H])([H])[H],-1543.54
|
598 |
+
[H]C([H])=C1C([H])([H])C2([H])OC1([H])C2([H])[H],-1558.57
|
599 |
+
[H]C1([H])OC([H])(C1=O)C([H])([H])[H],-1224.23
|
600 |
+
[H]C([H])=C([H])C([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])[H],-1911.52
|
601 |
+
[H]N([H])C([H])(C([H])([H])[H])C1(N([H])[H])C([H])([H])C1([H])[H],-1790.14
|
602 |
+
[H]N([H])C([H])([H])C([H])(C#CC([H])([H])[H])C([H])([H])[H],-1189.97
|
603 |
+
[H]N1C(=O)C2([H])C([H])([H])C2([H])N1[H],-1238.65
|
604 |
+
[H][C]([H])[N]N([H])C([H])(C([H])=C([H])[H])C([H])([H])[H],-1630.09
|
605 |
+
[H]C#CC#CC([H])([H])C([H])([H])[H],-1292.77
|
606 |
+
[H]C([H])=C([H])C(=O)N([H])[H],-1023.89
|
607 |
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[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])[H],-1853.99
|
608 |
+
[H]N1C([H])([H])C1([H])C([H])([H])N1C([H])([H])C1([H])[H],-1625.54
|
609 |
+
[H]OC1([H])C([H])([H])OC1(C([H])([H])[H])C([H])([H])[H],-1650.6
|
610 |
+
[H]C(=O)N(C([H])=NC([H])([H])[H])C([H])([H])[H],-1484.56
|
611 |
+
[H]C1C([H])=C([H])C2([H])OC2([H])C=1[H],-1438.75
|
612 |
+
[H]C#CC([H])=C([H])C([H])([H])C([H])([H])O[H],-1551.72
|
613 |
+
[H]C(=O)N1C(=O)C([H])([H])C1([H])[H],-1621.71
|
614 |
+
[H]OC(=O)C1([H])C([H])([H])C1([H])[H],-1243.51
|
615 |
+
[H]ON=C1C([H])=C([H])C([H])([H])C1([H])[H],-1321.55
|
616 |
+
[H]N([H])C1(C([H])([H])OC1([H])[H])C([H])([H])C([H])([H])[H],-1713.57
|
617 |
+
[H]OC([H])([H])C([H])([H])N1C([H])([H])C1([H])C([H])([H])[H],-1711.83
|
618 |
+
[H]N([H])C12C([H])([H])N(C([H])([H])C1([H])[H])C2([H])[H],-1638.39
|
619 |
+
[H]OC1([H])C([H])([H])C(=O)C1([H])C([H])([H])[H],-1525.55
|
620 |
+
[H]C(=O)C(C([H])=O)=C([H])[H],-1093.56
|
621 |
+
[H]C1([H])OC2(C([H])([H])C1([H])[H])C([H])([H])C2([H])[H],-1714.43
|
622 |
+
[H]C([H])=C([H])C([H])(C([H])([H])[H])C([H])([H])C#N,-1656.92
|
623 |
+
[H]OC([H])([H])C([H])(O[H])C([H])([H])N([H])C([H])([H])[H],-1662.77
|
624 |
+
[H]C#CC(=O)N([H])C([H])=O,-1454.8
|
625 |
+
[H]C([H])([H])C(=O)C1([H])OC([H])([H])C1([H])[H],-1517.0
|
626 |
+
[H]OC([H])([H])C([H])([H])C([H])(C([H])=C([H])[H])N([H])[H],-1574.34
|
627 |
+
[H]C([H])([H])C([H])([H])C([H])(C#N)C([H])([H])[H],-1505.93
|
628 |
+
[H]C#CC([H])([C]([H])[N]N([H])[H])C([H])([H])[H],-1479.3
|
629 |
+
[H]N([H])C([H])([H])C#CC([H])(N([H])[H])C([H])([H])[H],-1635.84
|
630 |
+
[H]OC([H])([H])C([H])(C#N)C([H])=C([H])[H],-1287.53
|
631 |
+
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])[H],-1850.08
|
632 |
+
[H]N=C([H])N(C([H])([H])[H])C([H])([H])C([H])=O,-1462.51
|
633 |
+
[H]ON=C(C([H])([H])[H])C([H])([H])N([H])C([H])([H])[H],-1573.23
|
634 |
+
[H]N([H])C([H])(C([H])([H])OC([H])([H])[H])C([H])([H])C([H])([H])[H],-1854.62
|
635 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])N([H])[H],-1716.2
|
636 |
+
[H]OC1(C([H])([H])[H])C([H])([H])C1([H])C([H])([H])N([H])[H],-1719.54
|
637 |
+
[H]C([H])=C([H])OC(=O)C([H])([H])[H],-1242.37
|
638 |
+
[H]C([H])=C1C([H])=C([H])C([H])([H])C1([H])C([H])([H])[H],-1787.48
|
639 |
+
[H]N1C([H])([H])C2([H])N([H])C([H])([H])C1([H])C2([H])[H],-1666.96
|
640 |
+
[H]OC1([H])C([H])([H])C([H])(O[H])C1([H])N([H])[H],-1523.12
|
641 |
+
[H]N(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1704.64
|
642 |
+
[H]C1=NOC([H])(C([H])([H])[H])C([H])([H])O1,-1375.25
|
643 |
+
[H]C#CC1([H])N([H])C1([H])C#N,-1776.98
|
644 |
+
[H]N1C(=O)C([H])(N([H])[H])C([H])([H])C1([H])[H],-1503.63
|
645 |
+
[H]C(=C([H])C1([H])N([H])C1([H])[H])C([H])([H])N([H])[H],-1639.2
|
646 |
+
[H]C#CC([H])([H])C([H])(C([H])=C([H])[H])C([H])([H])[H],-1746.83
|
647 |
+
[H]C([H])=C([H])C([H])(N([H])[H])C([H])([H])C([H])([H])[H],-1621.99
|
648 |
+
[H]C(=O)N(OC([H])([H])[H])C([H])([H])C([H])([H])[H],-1507.43
|
649 |
+
[H]OC1([H])C(=O)C([H])(C([H])([H])[H])C1([H])[H],-1521.74
|
650 |
+
[H]C([H])=C([H])C1([H])OC1([H])C([H])=C([H])[H],-1547.95
|
651 |
+
[H]C([H])=C([H])C([H])([H])N([H])C([H])([H])C([H])([H])N([H])[H],-1782.15
|
652 |
+
[H][N][C]([H])N1C([H])([H])C([H])(C([H])([H])[H])C1([H])[H],-1780.81
|
653 |
+
[H]C1C(=O)OC([H])([H])C([H])([H])C=1[H],-1413.13
|
654 |
+
[H]C#CC([H])=C([H])C(=C([H])[H])C([H])([H])[H],-1614.51
|
655 |
+
[H]N1C([H])([H])C([H])([H])S(=O)(=O)C1([H])[H],-1094.86
|
656 |
+
[H]OC1([H])C([H])=C([H])C2([H])C([H])([H])C12[H],-1576.63
|
657 |
+
[H]C([H])=C([H])N(C(=S)N([H])[H])C([H])([H])[H],-1567.61
|
658 |
+
[H]C#CC#CC(=O)C([H])([H])[H],-1259.44
|
659 |
+
[H]C([H])([H])N1C2([H])C([H])([H])OC([H])([H])C12[H],-1569.33
|
660 |
+
[H]C([H])([H])OC([H])(C([H])([H])[H])C([H])([H])C#N,-1594.37
|
661 |
+
[H]N([H])C1([H])C([H])([H])C([H])([H])C1([H])[H],-1321.3
|
662 |
+
[H]C([H])=C([H])C(C#N)=C([H])C([H])([H])[H],-1660.31
|
663 |
+
[H]C1([H])OC([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1567.83
|
664 |
+
[H]C1([H])C2([H])C([H])([H])C1([H])C1([H])OC12[H],-1534.63
|
665 |
+
[H]N1C(=O)C([H])([H])C([H])([H])C([H])([H])N1[H],-1123.96
|
666 |
+
[H]C(=C([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H],-2050.15
|
667 |
+
[H][C]([N]C([H])([H])C([H])([H])[H])N1C([H])([H])C1([H])[H],-1637.22
|
668 |
+
[H]OC1(C([H])([H])N([H])[H])C([H])([H])C1([H])C([H])([H])[H],-1720.99
|
669 |
+
[H][C]([N]N([H])C([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1628.14
|
670 |
+
[H]N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H],-1930.18
|
671 |
+
[H]C([H])=C([H])S(=O)(=O)C([H])([H])C([H])([H])[H],-1794.17
|
672 |
+
[H]O[N][C]([H])C([H])(OC([H])([H])[H])C([H])([H])[H],-1498.19
|
673 |
+
[H]C1=C([H])C([H])(N([H])C1([H])[H])C([H])([H])[H],-1494.92
|
674 |
+
[H]N1C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C12[H],-1747.9
|
675 |
+
[H]C1=C([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H],-1787.38
|
676 |
+
[H]OC([H])(C([H])=O)C1([H])C([H])([H])C1([H])[H],-1518.19
|
677 |
+
[H]C1SC([H])=C(C=1N([H])[H])N([H])[H],-1245.87
|
678 |
+
[H]C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H],-1483.46
|
679 |
+
[H][N][C]1N([H])C2([H])C([H])([H])C1([H])C2([H])[H],-1518.86
|
680 |
+
[H]OC1(C([H])([H])[H])C([H])([H])OC1([H])[H],-1349.17
|
681 |
+
[H][C]([N]OC([H])([H])[H])C1([H])C([H])([H])C1([H])[H],-1547.66
|
682 |
+
[H]OC1([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])[H],-1841.79
|
683 |
+
[H]OC(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])N([H])[H],-1721.17
|
684 |
+
[H]C([H])=C(C([H])([H])[H])C([H])([H])[H],-1161.23
|
685 |
+
[H]C([H])=C([H])OC([H])([H])C(=O)N([H])[H],-1494.51
|