smiles
stringlengths 11
172
| product_name
stringlengths 41
41
| heavy_atoms
int64 8
77
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| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NOC(=C3)C4=CC=CC=C4
|
67937E6E0C8A44D9_37861D56B797C375_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)OCC4=CC=NC=C4)OCC)=O
|
74DBC0B2E25F34C7_DE9E1B8932FC6D69_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CSC3=NN=C[N]3C4=C(CC)C=CC=C4)=O
|
6D1469D96B89E1FC_ED30DD7D8F0C776B_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC4=C(C3=C(C=C(OC)C=C3)OC4=O)C)=O
|
E434D002D91A3879_9299585F04B643BF_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN3C(=O)NC(=O)C4=C3C=CC=C4
|
D731403A1EA82E6F_75A5D851889FAD3E_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C5=CC3=C(C4=C(CC3)C=CC=C4)S5
|
06848BEE5D7500F5_4D381E76596E1E91_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC4=NN=C(C3=CC=C(C=C3)F)[N]4C5=CC=CC=C5
|
6E9CBCC988E62858_9339EBE12A62382F_6038_UN
| 38
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=NC(=NO3)C4=CC=CS4
|
C41DF41209917339_4D73CF84876D8741_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCOC3=C(C)C=CC=C3)=O
|
904065A1BA621811_3E8A921AB55DA79A_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCN3CC4=CC=CC=C4
|
C53B0E32CF8ECCDF_B3287172B88B9A09_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](C(=C3)C)C4CN5CCC4CC5)=O
|
EB0FB7FC749D1CC2_DE9A2B2065071D14_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)C=C3)[N]4C=CC=C4)=O
|
6B58AD6EA3ECA23E_BACF4E2E808CD411_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=C(C=C3)[N]4C=CN=C4
|
6AFE7FFD7A0887B6_662128CBCF580023_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3SC(=NC3=NC(=C4)C5=CN=CC=C5)N6CCCC6
|
17CC98DA604D9322_D759833D5A3382D4_6038_UN
| 38
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC4=NC3=C(C=CC=C3)C(=O)N4C5CC5
|
200C822A4F0CE8F3_CBE7A649657C7579_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C=CO3)C4=CC=CC=C4
|
FDF500D866D8348D_54ABEBAC8DF08A28_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CCC3)C4=CC=CC=C4
|
35512BD8B4BBF03E_B755FF79CAFDC0E6_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN3C(=O)CC4=C3C=CC=C4
|
37A2CAC53CC4D7F9_2D9813FDAAECFB8C_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(CCN[S](C)(=O)=O)C=C3)=O
|
304B8409C12E94FD_0B1E806C940F3311_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C4=C(S3)N=C(N=C4C)C)=O
|
3EE01A072CF67B82_68215692263511E9_6038_UN
| 30
|
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