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(=O)C3=CC4=C(C(=C3)F)N=CC=C4
|
1213491AB998E315_E68EB3842E2C9287_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H]3CC[C@@H](CCC(OC)=O)O3)=O
|
39C7B153C6ACFDD8_F2A05A14BE416A62_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=C(C=CC=C3)OC4=CC=NC=C4
|
4555FC5FC6867E28_3637444251B20868_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C3CCNCC3=C(OC)C=C4)=O
|
2904FFDF649CBA92_C5D88B67D784B033_6038_DP
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OC)C=NN=C3OC)=O
|
397694740ECB24D8_E77D094DE431DFBC_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CSC(=N3)C4CCCC4
|
1C609BB8DD4EBDF1_99C5BA70E982A810_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@]34CCC[C@]3(OC)OCC4)=O
|
8353212C45D241B3_27E4916ACF6B4A8D_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=C4C(=N3)C=CC=C4)=O
|
7746C68154DF9450_A48643E051CEECAD_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=CN=C3N)=O
|
D246549A08CE15C6_E776152DCB5691C6_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=CN=C3NC(=O)C(C)(C)C)=O
|
C9B94A4F0438F7A8_492F1442E2F6D9A6_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCN3C(N(C)CC3=O)=N)=O
|
7FBD5B8D6C6E038B_C2A7689DA07CEC4C_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CCOCC3)C4CCCCO4
|
07678778841DDCBB_0FF11C7F8DEAB84F_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3CCCN(C3)C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6
|
5FF2B25C8A2897DE_D4A92D79F0C768FA_6038_UN
| 43
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(CN(C)C)O3)=O
|
F118A013B5D28B40_97087DCCAAEC1ECE_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C34C(OCC3CNC4)(C)C)=O
|
B6593F3037950A26_7CB7D08124F3513F_6038_DP
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3=CC(=C(OC)C=C3)OC)=O
|
BE00053ABED1DB71_552C9303C6C2E0F6_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3=C(C=CC(=C3)OC)OC)=O
|
B5523EE384595AFA_880503ECCB953455_6038_UN
| 30
|
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