smiles
stringlengths 11
172
| product_name
stringlengths 41
41
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int64 8
77
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158FA0C3B01C1080_E9F2A0F6A80B300E_6038_UN
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|
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@H]3N(CCC3)CC#C
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=C(C(=C3)Cl)Br
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8369E4434645B487_CAFDC7AB54D5BD4F_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C(C(=C3)F)Br)[N](=O)=O
|
F5B0D44ECA4A98BE_28F3175506AA087F_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3SCCCS3
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B3353A03335153A1_AF662088C2EAC5A9_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC[S](=O)(=O)C3
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2DBE6D19FE125EF4_790B5551A349A33A_6038_UN
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7AC19781CBB42426_A038AD8109CC8ABD_6038_DP
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2E6D715754208157_3A8A79A893230306_6038_UN
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3BE8C1E184C3A759_A9CEFAC0ED9E117F_6038_UN
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D6458607A94C9C2C_901B4807C8F96B3C_6038_UN
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D4056E871D121F1A_8FDAC5C67DAED78D_6038_UN
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F120272E1DFDA020_17DAF6F7D016E7F7_6038_UN
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C73F80B180BCB38D_5BDB589AF8F126C3_6038_UN
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988403BF2A48DEE5_9B26CF94E409957A_6038_UN
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714111766D8A0325_67D36AEC927240E1_6038_UN
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05CA6DC967145B70_DB1D3EE662AB6FCE_6038_UN
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CCC3)C4=CC(=CC=C4)C#N
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20E6541262F30085_41177BD977E27117_6038_UN
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|
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A1DED9617E5A3591_B5E638F7C417ACAF_6038_UN
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|
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|
B969028AC1FF8ECE_DA62B4185E813B58_6038_UN
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07B4E0A3D5D5A0B9_D1D640A966B7A36B_6038_UN
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C548A0981C0AE816_2F043B81E1A9C659_6038_UN
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23A4E9A4776A879E_8DAEE4F59EE6600E_6038_UN
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266681555F6426D8_49F801D17EE69B1A_6038_UN
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05482C0971FD04BD_71013D0E9C90AC21_6038_UN
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1D4699E9056939BE_639885B64A0D9FFC_6038_UN
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74EC7256554A99E9_1F32ECE4AF04FB88_6038_UN
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0BAA29912E42FA13_A377E362CF43E73C_6038_UN
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19DDA7376EFE4D13_4AB5C5861B676BA7_6038_UN
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|
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| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=N[N]3C4=CC=CC=C4
|
0C1EE55CC3FCDD77_622C4365108F6E84_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)COCC4
|
47B68D3995EB91A3_57953A372F01D709_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=C[S](CC)(=O)=O)=O
|
DCA1B79ABFB08A88_4C2A855D47C6D2D8_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3CCCO[C@H]3C4=C[N](C)N=C4)=O
|
B0946DA823FD41E0_FF476F36A85CA3AF_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3[C@H](N(C)C(CC34CCC4)=O)C5=CC=CC=C5)=O
|
5CD7AA3540AA4A86_9CCD4C62F7B6E166_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=C[N]4C(=N3)CCCC4
|
7ABAABB03E423292_5B591BEF39C20EB1_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=COC(=N3)C4=CN=CC=C4
|
FCF113423758ACBF_6134A0268CEC68F8_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC[S](=O)(=O)N3
|
366B261381A27C8C_33382FCFDD32EB8E_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)NC)=O
|
4DE47E1C66CF991C_896E3E568F948AAA_6038_DP
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN=[N]#N
|
02BB52836CE19DFA_E65606EFB9CD9C1B_6038_UN
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=CC=C3)C(=O)C4=CC=CO4
|
7F66217865CA9E48_B72BA0B94E67A670_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NN(CCCOC)C(C=C3)=O)=O
|
A91768E5BC47D356_96924D8134541E9A_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=N[N](C(C)(C)C)N=N3)=O
|
97826FAA1ECDE7A2_6E87D7C86853A25D_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC(C)C)[N]3C=CN=C3)=O
|
901E71DF27120C15_5B69A0C15E3438D1_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC4=C(C=C3)[NH]N=C4
|
23CFA2FC060A4F44_94CCB318FC7EB137_6038_UN
| 27
|
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