smiles
stringlengths 11
172
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stringlengths 41
41
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int64 8
77
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1551A9651F9E816D_FCDD3995F219106D_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CSC(=N3)C(C)C)=O
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|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[NH]3)C4=C([N](CCCC)N=C4C)C)=O
|
D75AFBC91BB8A89F_96B2224F89F3F132_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC=C([N]3C=CN=C3SC)C=C4)=O
|
C905677609E1BDB0_14D6B702AA70FD4D_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(CC)[N](N=C3)C(C)(C)C)=O
|
3ABCBE6F07D4F827_6CB45AE90073A3E1_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(N=C3)NC(=O)NC4=O
|
501CE81DC98B526E_2F4EB0B5B5484AB8_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C[N]3C=CN=C3CC)=O
|
410F57483DB728A8_CE0EB33217CABD95_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[NH]3)C4=C([N](N=C4C)C)C)=O
|
A5F90EE452B8E42F_AC1A6D4BD2DFC8FF_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC[N]3N=C(C)C(=C3C)C)=O
|
402926EDAC99C588_BEA87A995419037A_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC4=C(C)N=C3N(N=C(C)N3)C4=O)=O
|
6E7681276C1C10DF_10D325A9A602167C_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)C[N]3C=NC4=C3C=CC=C4)=O
|
AFDABDE87AF4E479_9527DDD2A51B340C_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[NH]3)C4=CC=C(C)O4)=O
|
5B290C6E9C03DFA3_C90128361BF2ED37_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NSN=C3
|
E3B33F7417AD673D_6094777A700C3192_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)O3)[S](=O)(=O)N4CCCC4)=O
|
A20F94AAD6865D4C_DAD2A5618223B74E_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=N[NH]3)C4=C([N](CC)N=C4C)C)=O
|
B6DCCDC9C93142D0_CE5B36CB7384E836_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(Br)[NH]3)Cl
|
04DF1E06FCF4E983_BC65EB6B30586405_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(Cl)[NH]3)Br
|
8AE1BA06DE365263_4F497BEE1D33EB01_6038_UN
| 25
|
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