smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CN=C(C3=C(OC)C=CC=C3)N=C4)=O
|
32548B497209B3FC_D1E91380A8FDAD57_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CCF)CC3
|
F63364F4358C1334_2B667E8DD1A72B62_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=NC(=C[N]3C=C4)C)=O
|
9602018BD3B84793_3C19935510504CC7_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN3C(C)CCC3)=O
|
DEF3B536E4029C65_02363BF5C214C261_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCC3C(N)=O)=O
|
A699500A2130F850_3E5E8CF7B0C727C3_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C)(C)C3CC3)=O
|
7B5CC56C2F967963_E576506424A9AF9A_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CCC(CCC(C)C)CC3)=O
|
D1AEB1A97720DF7E_F958786B91E30DD6_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C(OCC)=O)(C)C)=O
|
806257575A564550_A9A4E0D1A6A889C4_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H](C)CC3=CC=CC=C3)=O
|
78C5C04DB44EBE95_8514E0598ED3E794_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3OCCOC3=CC(=C4)C#N
|
903D4A5429F28B23_12F3C875CC3A1437_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(COC(C)C3=NC=C[N]3C)=O
|
2A553C2B718F7028_D8AB6095E2269F85_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN3CCNCC3)=O
|
36D6639DF48B9029_FCA4E6F3C85E5273_6038_DP
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CSC=C3C4=CC=CC=C4
|
B6EF1550BA893484_94D34115CEF2BFC9_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCN(C3)C4=C(C=C(C=C4)C#N)F
|
7214E6EC0961167F_34C8DBB3FDCF2CAB_6038_UN
| 32
|
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