Added 1 molecules from epoch 18801 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -104,3 +104,4 @@ rxn:5:178846:228263:227197,COC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(C)C3)cc1-c1ccc(C(C)(F
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| 104 |
rxn:5:198246:228617:226748,COc1cc(C(F)(F)F)ccc1-c1ccnc(-c2c(C)cccc2OC)c1C,AWSDEBCEGFXDFR-UHFFFAOYSA-N
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| 105 |
rxn:5:195436:227738:226849,COc1nccc(-c2cc(-c3cc(C(F)(F)F)ncc3C)cc(C(C)=O)n2)c1C(F)(F)F,OCTNSIZBONJDLS-UHFFFAOYSA-N
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| 106 |
rxn:1:63681:37231,COc1nccc(-c2cccc(-c3cn(CCCN4CCSCC4)nn3)c2F)c1OC,HZZYYBZIQGFIHH-UHFFFAOYSA-N
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| 104 |
rxn:5:198246:228617:226748,COc1cc(C(F)(F)F)ccc1-c1ccnc(-c2c(C)cccc2OC)c1C,AWSDEBCEGFXDFR-UHFFFAOYSA-N
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| 105 |
rxn:5:195436:227738:226849,COc1nccc(-c2cc(-c3cc(C(F)(F)F)ncc3C)cc(C(C)=O)n2)c1C(F)(F)F,OCTNSIZBONJDLS-UHFFFAOYSA-N
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| 106 |
rxn:1:63681:37231,COc1nccc(-c2cccc(-c3cn(CCCN4CCSCC4)nn3)c2F)c1OC,HZZYYBZIQGFIHH-UHFFFAOYSA-N
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| 107 |
+
rxn:1:51962:15493,N#Cc1ccc(C2CC2CCn2cc(-c3cn(-c4ccccc4)nc3C3CCCC3)nn2)cn1,UDIIKFLNLDSUPW-UHFFFAOYSA-N
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