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Models:
Amanda Davis
Amanda-D/
selfies
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[1aa732]: / tests / test_sets / qm9.csv

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# smiles
1 C
2 N
3 O
4 C#C
5 C#N
6 C=O
7 CC
8 CO
9 CC#C
10 CC#N
11 CC=O
12 NC=O
13 CCC
14 CCO
15 COC
16 C1CC1
17 C1CO1
18 CC(C)=O
19 CC(N)=O
20 NC(N)=O
21 CC(C)C
22 CC(C)O
23 C#CC#C
24 C#CC#N
25 N#CC#N
26 O=CC#C
27 O=CC#N
28 O=CC=O
29 CC#CC
30 CCC#C
31 CCC#N
32 NCC#N
33 OCC#C
34 OCC#N
35 CCC=O
36 CNC=O
37 COC=O
38 OCC=O
39 CCCC
40 CCCO
41 CCOC
42 OCCO
43 CC1CC1
44 CC1CO1
45 CN1CC1
46 OC1CC1
47 C1CCC1
48 C1COC1
49 CC(C)=NO
50 N1C=CC=C1
51 N1C=CN=C1
52 O1C=CC=C1
53 O1C=CN=C1
54 CC(C)(C)C
55 CC(C)(C)O
56 CC(=O)C#C
57 CC(=O)C#N
58 NC(=N)C#N
59 NC(=O)C#C
60 CC(=O)C=O
61 NC(=N)C=O
62 NC(=O)C=O
63 CC(C)C#C
64 CC(C)C#N
65 CC(N)C#N
66 CC(O)C#C
67 CC(O)C#N
68 CC(C)C=O
69 CC(O)C=O
70 CN(C)C=O
71 CC(=O)CO
72 CCC(C)=O
73 CCC(N)=O
74 CNC(C)=O
75 CNC(N)=O
76 COC(C)=N
77 COC(C)=O
78 COC(N)=O
79 NC(=O)CO
80 [NH3+]CC([O-])=O
81 CC(C)CO
82 CC(O)CO
83 CCC(C)C
84 CCC(C)O
85 COC(C)C
86 CC1(C)CC1
87 CC1(C)CO1
88 CC1(O)CC1
89 N=C1CCO1
90 O=C1CCC1
91 O=C1CCN1
92 O=C1CCO1
93 O=C1CNC1
94 O=C1COC1
95 CC1CCC1
96 CC1CCO1
97 CC1COC1
98 OC1CCC1
99 OC1COC1
100 CC1CC1C