smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=NOC4=C3C=C(C=C4)F
|
C327AD8FA5FF5786_F819F298583903BD_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CC(=C3)F)N4CCOCC4
|
8179CCFD623A679F_8D13A1102F165800_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC3=CC=C(OCC)C=C3)C)=O
|
9CD67E8DEA63C47A_209D583E4852DE24_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CCCCO3
|
478C37164EA7B6AC_EA92899626635201_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CC(=C(C=C3)I)Br
|
FB0F68A00F99B480_3AE40E1F7AF99D2A_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4CN(CCC3=CC=C(C=C3)F)C(=O)C4
|
1946748E6C0F9A1E_648A2A514E8A7E46_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H]3C[C@@H](C(C)=O)C3(C)C)=O
|
06D76D04BADF89B7_A05B598DDC19FADC_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC[S](=O)(=O)O
|
AA7E369FA000C90B_41C8C76C47C61194_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C(OCC)=O)C3=CC=CC=C3)=O
|
4BEF504C07498983_3A10C09467A70EB3_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
|
9F61241BB2304030_231D054BD8E9BC94_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C([S](CCOC)=O)C=C3)=O
|
B6F1FE52DC44540E_E00AF6ED6D4AA520_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NN=C(O3)C4=C(C=CC=C4F)F
|
60E1F947B3FD44AC_AC4D52895CDB6EE5_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3C[C@H]3[N](=O)=O
|
17D054F7488163C2_BC872D7DE1438774_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3OCC3
|
A6F03822CE10E6A5_40BD823649D64B6F_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(C=C(N(C)C)C=C3C)C)=O
|
3533D965A2C58447_62086C174DFF6C81_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3=C(C)N=CS3)=O
|
3DC06492BC834A26_AFB426043ED8516F_6038_UN
| 26
|
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