smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C[N](C)N=C3C4CCCC4)=O
|
5A9BB038644E3D05_B6B7B5BBA7FE5891_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC3
|
8FA093B3E3DB208D_273DC3713DDC51A5_6038_UN
| 21
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC)=O
|
64AB198EF4E920DD_C4BEB1082D5460C1_6038_UN
| 20
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3C4CCC(=O)C34
|
44F9D2570BE9D7FE_1B1F93ECA0881951_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CON)=O
|
59DDDC3426814DA0_EC43960B73A2210F_6038_DP
| 21
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C)C)=O
|
41B2ED9855AA0A61_3044D516D36CE78F_6038_UN
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=C(C(OC)=O)C=C3)C)=O
|
D23EB3593189CDE5_76D99CCFDB2E3C43_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC=C(C=C3)SC4CC4
|
21E85054C7B0D376_7E7E3B0DC9C0D911_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CCC)C)=O
|
D473D5233646CB68_3024ED439D6732A5_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(COCCOC)=O
|
618ED75094A1FABA_52592E6E2C1C1245_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3CCCC3
|
C4669E4C0CD016CA_2F73B6CA3C1761EB_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4C3(CC3)C45CC5
|
4AB6F0F16E5E9905_2153690D06A65D27_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCN3CC)=O
|
A33E60E6ACC2AB0F_7BD2EB661C1E7824_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N=C(C)C=C3C)C)=O
|
D814D37A3B7CA21C_E109ECE87C089B39_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(CC)[NH]C(=C3)C4=CC=CC=C4)=O
|
DAF421ECB99E00AD_C27A2029DA36748F_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(CC)[NH]C(=C3)CC4=CC=CC=C4)=O
|
564A42766E3E54CD_1527132022200F62_6038_UN
| 32
|
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