Added 1 molecules from epoch 18763 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -70,3 +70,4 @@ rxn:4:189986:224553,COc1cc(CN2CCOCC2)ccc1-c1ccc(OCc2ccccc2)cc1Cl,USCWJPCPCHMYPO-
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| 70 |
rxn:4:202368:222980,COC(=O)CCn1ncc2ccc(-c3ccc(CN4CCNCC4)cc3)cc21,HWKZAJWTUJIYFE-UHFFFAOYSA-N
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| 71 |
rxn:2:145812:82495,COC(CNCCc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1,LUHVVSPIYIDHSE-UHFFFAOYSA-N
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| 72 |
rxn:4:191110:224029,Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1,AWJUIDKOFVVKRL-UHFFFAOYSA-N
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| 70 |
rxn:4:202368:222980,COC(=O)CCn1ncc2ccc(-c3ccc(CN4CCNCC4)cc3)cc21,HWKZAJWTUJIYFE-UHFFFAOYSA-N
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| 71 |
rxn:2:145812:82495,COC(CNCCc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1,LUHVVSPIYIDHSE-UHFFFAOYSA-N
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| 72 |
rxn:4:191110:224029,Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc(-c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1,AWJUIDKOFVVKRL-UHFFFAOYSA-N
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| 73 |
+
rxn:4:199727:224917,Cc1ccc(Sc2c(C)nn(C(=O)COc3ccccc3-c3ccc(N4CCC(C)CC4)cc3C)c2C)cc1,RBBANHNUZMQWLN-UHFFFAOYSA-N
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