product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"CD41040C01BB5D83_3542CBEFD28D1EB2_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(CBr)(CBr)CBr" | 21 | "DAC2E62A2A9F4109" |
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"386B40F70CD2BCC6_295CF1AC7D75D152_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(CC)(CC)CC" | 21 | "DAC2E62A2A9F4109" |
"7A996F6FC31FB43B_0F285C0C3B8A1649_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=CN=C(C)C=C3" | 21 | "DAC2E62A2A9F4109" |
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"54AB4083F4709706_1E2BD6CC2A0C1FC9_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)C3=C(C)OC=CC3=S" | 21 | "DAC2E62A2A9F4109" |
"3C7192E8FADDA3D3_E58C135D4218739B_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3(CN)CCOC3" | 21 | "DAC2E62A2A9F4109" |
"084041F8AB0383F8_D15CE3E84EB6DFC2_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(N=C(C)O3)C" | 21 | "DAC2E62A2A9F4109" |
"E6D2B44FD153D082_F0116EBF910BC97A_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=C(N=CC=C3)Cl" | 21 | "DAC2E62A2A9F4109" |
"BB2FA31AC7F5D742_B3A5B2F43C1F6B03_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3CNCC(C)C3" | 21 | "DAC2E62A2A9F4109" |
"288CB9F0CA44EBCB_EBABAA8EF58EB5B9_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC3=NC=C(C=C3)F" | 21 | "DAC2E62A2A9F4109" |
"996CE04EF468029D_C722D90DFD541341_6031_UN" | "O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(C(CCC)C)N" | 21 | "DAC2E62A2A9F4109" |
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