smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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53044CEB461FBE32_6B6D9C7565D73D96_6038_DP
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31DCDB9E9B34809E_83CADA4B49595D87_6038_UN
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| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4(CC3=CC=CC=C3)CCCCC4
|
3C16D9F2AD8AD9D9_FA6A0D94C3E2D0DD_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=C(C=CC=C3)C#N
|
97644C5B918C8973_0DE3B366922CCEC7_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)C)=O
|
2712AD361C363CE5_C5E3B4415E4DC87D_6038_UN
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCN(C)C(=O)C3=CC=NC=C3)=O
|
65DBD3A260A12126_D71AFB8A2FD5775E_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC(=CN(C3CC3)C4=O)Br
|
0B553E8988FE66DB_DB0855255B32003F_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3CCCCC3
|
1F4BEFF83426FCCC_415769438E037199_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@]34COCC[C@H]3CNC4)=O
|
B41AC80CDD3F222B_9D7FA5AEB6160DE3_6038_DP
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CN=C(CC3CCNCC3)S4)=O
|
2C1AF3ADCEDFB404_5A0678FBAE36F688_6038_DP
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C([S](CC)(=O)=O)C=CC=C3)=O
|
A34260E7B6E104E4_1D40DDF8694868EA_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CC3=C(C=C(C)C=C3N4)F)=O
|
88E85422190C638A_00AE8C952FE7F8F8_6038_DP
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=C(S3)C4CCOC4
|
7C152E117B69C4E9_44A66DAC23B1A40D_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3C[C@H]3C4=C(C=CC=C4)F
|
CBE413C18732B7A6_89709C57EE76500C_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(N=NC3=CC=C(N(C)C)C=C3)C=CC=C4)=O
|
78F1A96346831BC8_34D0960A561F08FC_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CC=C3)C4=CC=CC=C4
|
E91C7B08692AFFF2_50269FD13ED01E0B_6038_UN
| 30
|
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