image_id stringlengths 1 32 | image imagewidth (px) 61 3.28k | SMILES stringlengths 4 251 |
|---|---|---|
1 | O=C(N1S[R'])CCC1=O | |
2 | COC(C=C1)=CC=C1C#CC(C=CC=C2)=C2C3=C(C=O)N4C=CC=CC4=C3C(OCC)=O | |
3 | O=C(N[R])CCC(N[R])=O | |
4 | ClC(CCC(Cl)=O)=O | |
5 | CC1=CC([R2])=C([R2])[P-]1 | |
6 | [R]C(NC1=NC2=CC=CC=C2S1)=O | |
7 | [R]C(NC1=C(SC)C=CC=C1)=O | |
8 | O=C(C(C=CC=C1)=C1C2=O)[C-]2C3=CC4=CC=CC=C4N=C3.[Na+] | |
9 | [Ar]C(O)C | |
10 | [Ar]C(NC1=C2C(C=CC=N2)=CC=C1)=O | |
11 | BrC1=CC=C(C)C=C1 | |
12 | O=[N+](/C=C/C1=CC=CC=C1)[O-] | |
13 | CC(C=C1)=CC=C1S(C([N+]([O-])=O)C2=CC(Cl)=CC=C2)(=O)=O | |
14 | COC1CCCC2=C1C=C(C3=CC=CC=C3)O2 | |
15 | C1(SSC2=CC=CC=C2)=CC=CC=C1 | |
16 | O=C(C[C@@]1([H])[C@@]2(C)CC[C@]3([H])[C@]1(C)CCCC3(C)C)C4=C2C=C(OC)C(OC)=C4N | |
17 | ClC1=CC=CC=C1[N+]([O-])=O | |
18 | O=C/C=C/C1=CC=CC=C1 | |
19 | ClC1=NC=CC=C1 | |
20 | BrC1=C(C)C=CC=C1 | |
21 | ClC1=CC=C(C#N)C=C1 | |
22 | CC1=CC(F)=CC(C)=C1 | |
23 | CN1C2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)C4=CC=CC=C41 | |
24 | CN(C1=C2C3=C4C1C(C=CC=C5)=C5CCC4=CC=C3)C(N(C)C2=O)=O | |
25 | CN(C(C1=C(C=CC=C2)C2=CC3=C1C=CC=C3)C4)C(N(C)C4=O)=O | |
26 | CC(C=C)=O | |
27 | ClC(C=C1)=CC=C1C2CC(O)OC(C)O2 | |
28 | CC(C1=CC=C(Cl)C=C1)=C | |
29 | O=C(C1=CC=CC=C1)C2=C(C3=CC=C(C)C=C3)C(C)=C4N2C=CC=C4 | |
30 | O=S(C1=CC=CC=C1)(C(F)(F)F)=NS(=O)(C(F)(F)F)=O | |
31 | COC1=C(OC)C=C(C(NC2=NC(C(OC)=O)=CS2)=O)C(O)=C1 | |
32 | COC1=C(OC)C=C(C(Cl)=O)C(OC)=C1 | |
33 | [H]C(C1CCCO1)=O | |
34 | OC1=CC=C(C[C]=O)C=C1 | |
35 | C=C[C@@H]1C2=CC(O)=C(C)C=C2OC(C)(C)[C@@H](O)C1 | |
36 | [R]C1=C(C=CC=C2)C2=C(C3=CC=CC=C3)C4=C1OC5=C4C=CC=C5 | |
37 | O=CC(C=CC=C1)=C1/C(C2=CC=CC=C2)=C3COC4=C/3C=CC=C4 | |
38 | C1CCCO1 | |
39 | C1(C=CC2=CC(C=CC=C3)=C3C=C2)CCCO1 | |
40 | O=CC1=CC=CC=C1 | |
41 | SC1=CC=CC=C1S | |
42 | O=C(/C(C)=C1OC(C2=C/1C=CC=C2)=O)C3=CC=C(Br)C=C3 | |
43 | O=C(/C(C)=C1OC(C2=C\1C=CC=C2)=O)C3=CC=C(Br)C=C3 | |
44 | O=C(C1=C([H])C=CC=C1)NC2=CC=CC=C2N3C=CC=N3 | |
45 | O=C(C1=C(NS(C)(=O)=O)C=CC=C1)NC2=CC=CC=C2N3C=CC=N3 | |
46 | O=C(C1=C([H])C=CC=C1)NC2=CC=CC=C2N3C=CC=N3 | |
47 | CN1N=NC(C2=CC=CC([N+]([O-])=O)=C2)=N1 | |
48 | C1(/C=C2CC\2)=CC=CC=C1 | |
49 | BrC1=C(C(C2=CC=CC=C2)=C(C(F)(F)F)CC3)C3=CC(OC)=C1OC | |
50 | FC(C1=CC2=CC=CC(OCC3=CC=CC=C3)=C2CC1)(F)F | |
51 | CC1=C(C2=CC=CC=C2)C=CC=C1 | |
52 | O=C(C1=CC=CC=C1)C2=CC=C(Br)C=C2 | |
53 | O=C(C1=CC=CC=C1)C2=CC=C(Cl)C=C2 | |
54 | O=C(C1=CC=CC=C1)C2=CC=CC=C2OC | |
55 | O=C(C1=CC=CC=C1)C2=CC=CC=C2 | |
56 | O=C(C1=CC=CC=C1)C2=CC=CC=C2C | |
57 | O=C1C2=C(C3=CC=CC=C3)C=CC=C2CCC1 | |
58 | C=C1C2=CC=CC=C2CCC1 | |
59 | [H]C(C1=CC=CC=C1O)=O | |
60 | O=C1[C@H](C2=CC=CC=C2)[C@@H](C)OC3=CC=CC=C31 | |
61 | [R]C1=NC=NC(C)=C1C | |
62 | CC(C1=CC=CC=C1)=C | |
63 | NC(C1=CC=CC=C1)=C | |
64 | CCOC(=O)C1C(c2ccccc2)=C2C(c3ccccc31)c1ccccc1N2Cc1ccccc1 | |
65 | c1ccc2oc(N3CCN(c4cc5ccccc5o4)CC3)cc2c1 | |
66 | FC1=C(N2CCCCC2)N=C(Cl)C=C1 | |
67 | BrC1=CSC([C@H]2[C@H]3[C@@](CCCC3)(OCC4)[C@@H]4CO2)=C1 | |
68 | CC1=CC=CC=C1 | |
69 | C1COCCN1 | |
70 | CC1=C(C2=CC=C([N+]([O-])=O)C=C2)C(C3=CC=CC=C3)=NO1 | |
71 | IC1=CC=C([N+]([O-])=O)C=C1 | |
72 | CC(C1=CC(C)(C)CC1OC)=C | |
73 | COCC#CC1=CC=CC=C1 | |
74 | CC1=CC=C(C(C2C(CCCC2=O)=O)=O)C([N+]([O-])=O)=C1 | |
75 | NC1=CC(C)=CC=C1 | |
76 | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(C)=C | |
77 | C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@H]([C@H](OCC3=CC=CC=C3)CC(C#CC#CC#C[CH])=O)CC4=CC=CC=C4 | |
78 | O=C(C([R2])C)N1CCC2=C1N=CC=C2 | |
79 | ClC(C=C1)=CC=C1C2=C(C(C3=CC=CC=C3)=O)N=NN2CSC | |
80 | ClC(C=C1)=CC=C1C2=C(C(C3=CC=CC=C3)=O)N=NN2CSC | |
81 | COC1=CC=C(/C=C/C=C/C(C)=O)C=C1 | |
82 | ClC1=CC=C(S)C=C1 | |
83 | OC(C)(C1=CC=CC=C1)C#C | |
84 | O=CC1=C(O)C(O)=CC2=C1OC3=C2[C@]4(C)[C@](CC[C@H]3C)([H])C(C)(C)CCC4 | |
85 | O=C/C=C/C1=CC=CC=C1 | |
86 | OC(C#C)C1=CC=CC=C1 | |
87 | OC1(C#C)CCCCC1 | |
88 | O=C(C(CCO)C(OCC)=O)C1=CC=CC=C1 | |
89 | O=C(CC(OCC)=O)C1=CC=CC=C1 | |
90 | NC(CC(C1=CC=CC=C1)C2=CC=CC=C2)=O | |
91 | CC1=CC=C(N=C(C)C(C2=CC=CC=C2)=C3C4=CC=CC=C4)C3=C1 | |
92 | CC1=NC2=CC=C(C(F)(F)F)C=C2C(C3=CC=CC=C3)=C1C4=CC=CC=C4 | |
93 | O=C1C(C(N2CCCC2)=O)=CN(C(CCC=C)=O)CC1 | |
94 | CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 | |
95 | C1CCCN1 | |
96 | CC1=CC2(CC3=C1C=CC=C3)C4=C(C=CC=C4)C5=CC=CC=C52 | |
97 | CC(C1)(C2=CC=C(OC)C=C2)C3=C(C=CC=C3)CC41C5=C(C=CC=C5)C6=CC=CC=C64 | |
98 | O=C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3)C(C(C)=O)=C(C)N2 | |
99 | O=C1C=COC2=C1C=CC=C2 | |
100 | NS(=O)(C1=CC=CC=C1)=O |
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