Dataset Viewer
product_name
stringlengths 43
43
| product_smiles
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91
| heavy_atoms
int64 24
24
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"CC3CC1=C(C=CC(=C1)OC(C2=CC(=C(C)C=C2)[S](=O)(=O)Cl)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"839628447D71B885_C55FE52B99A81097_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(C2=CC=C([S](NC)(=O)=O)C=C2)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"1E3DF603FF6BF282_9E061288E0B46B63_6038_UN"
|
"CC4CC1=C(C=CC(=C1)OC(=O)CCC3=NC2=C(C=CC=C2)[NH]3)O4"
| 24 |
"2B838FD7CD625450"
|
"E6B2C733FEAE2F86_F442C30F96C9FF55_6038_UN"
|
"CC4CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)C3=NN=N[NH]3)O4"
| 24 |
"2B838FD7CD625450"
|
"23278EBA61E7AFC0_730D9BDD55B571C8_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(C2=CC=CC(=C2)OCC(N)=O)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"1FAAFE247A250BC9_79287BA570655FEF_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(C2CN(C(CC)CC)C(C2)=O)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"A2BCE1DE53532915_4C0436D60330346B_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(CCOC2=CC(=C(C)C=C2)C)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"FAC79E13DF1F8C9E_2E65AC7239C59B44_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(CCOC2=CC(=CC(=C2)C)C)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"C2E0A16205CAB4CC_FD35140D2A192A5A_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(CCOC2=C(C)C=CC=C2C)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"20B2C3A45B6A95F6_9BE13AF707023B5E_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(C(C)OC2=C(C(=CC=C2)C)C)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"A61DDFA943872CEB_EBEFB7D52A903F2E_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(CSC2=CC=C(C(C)C)C=C2)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"C409449FDE4F5A40_09C3645E2AB7D131_6038_UN"
|
"CC4CC1=C(C=CC(=C1)OC(=O)C2=CN=C[N]2C3=CC=CC=C3)O4"
| 24 |
"2B838FD7CD625450"
|
"4C06413449A54C20_6CDC5A29D65AEEB8_6038_UN"
|
"CC4CC1=C(C=CC(=C1)OC(=O)C2CCCN(C2)C(=O)C3CC3)O4"
| 24 |
"2B838FD7CD625450"
|
"3696BF6662B18F91_C7D8793A184A1C77_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(=O)CCSC2=CC(=C(C=C2)F)F)O3"
| 24 |
"2B838FD7CD625450"
|
"36FE0FFF3028FF27_03CD3096588D73C4_6038_UN"
|
"CC4CC1=C(C=CC(=C1)OC(=O)C3=CC=C(C[N]2C=CC=N2)O3)O4"
| 24 |
"2B838FD7CD625450"
|
"9D7C0E1352F02752_866DA0EBDDA22D99_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(C2=C([S](CC)(=O)=O)C=CC=C2)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"47AF4FB0DCACD8D6_1877688749D803E2_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(CC(C2=CC=C(C)C=C2)(C)C)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"B3B5348476944445_C1E162104B6541F3_6038_UN"
|
"CC3CC1=C(C=CC(=C1)OC(C2=C(NC(OC)=O)SN=C2C)=O)O3"
| 24 |
"2B838FD7CD625450"
|
"D53089F1097115A4_A6B11311E0BA0108_6038_UN"
|
"CC4CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)[N]3C=CC=N3)O4"
| 24 |
"2B838FD7CD625450"
|
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