smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
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8EEEE8A4FD1CA483_3A8909B4BB3F8550_6038_UN
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19D9DD5E1AD570B5_23A6722D60783EAF_6038_UN
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| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)ON=C3C4=CN=CC=C4)=O
|
7445C1233F61BB2A_035B4C52A08AEFEF_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(N(C)C)(C)C)=O
|
46706953B9068E85_146FCFBE5FA94A8C_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCOCC)CCC3)=O
|
B63D9C8B8977ACD9_039CA2764E5165AB_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C3=CC=C(OC)C=C3)(C)C)=O
|
796A535B13D2987B_2F5E5B93AA96F823_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCC(O3)C4CCCO4
|
BD455BB35962A1C5_C2F87A0A1E99F393_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(N4CC3=CC(=C(OC)C=C3CC4)OC)=O)=O
|
3C3123D5261404F1_861713F7CC72749C_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN4CCC3=CC(=C(C=C3C4)OC)OC)=O
|
4BE2261E1034ED55_93138D49BD40F711_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CSC3=NN=C([N]3C4=CC=C(OC)C=C4)C5=CC=C(C=C5)C)=O
|
F097987706272449_DE9795ABA41DF840_6038_UN
| 40
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CSC(=N3)C4=CC=NC=C4
|
87185DB9A5690625_498D71AC55235D66_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(NC3=NN=C(CC)S3)=O)=O
|
6888CD0682784C49_E9CC7947F89E3332_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(NC3=NN=C(C(C)C)S3)=O)=O
|
DFFB26E214F224EF_3CD437C67DC165D9_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC(NC3=NN=C(C)S3)=O)=O
|
4B623C9F5F7970E9_DFE3C4333EEB8C66_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC4=C(N=C3C=CC=CC3=N4)N5CCCC5
|
A21AFE4644EAE7BC_7E8C10A931E79D38_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC4=C(N=C3C=CC=CC3=N4)N5CCOCC5
|
15D3AD503DC20B14_194FFB7E78EAD240_6038_UN
| 36
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C(C(C)C)C=C3)=O
|
11751D2E8AB0CED8_F1388C8870856014_6038_UN
| 28
|
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