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cosmic-amanita commited on
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a9d3add
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1 Parent(s): 7987acb

Added 1 molecules from epoch 18804 to P23975_molecules_TEST.csv

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  1. P23975_molecules_TEST.csv +1 -0
P23975_molecules_TEST.csv CHANGED
@@ -106,3 +106,4 @@ rxn:5:195436:227738:226849,COc1nccc(-c2cc(-c3cc(C(F)(F)F)ncc3C)cc(C(C)=O)n2)c1C(
106
  rxn:1:63681:37231,COc1nccc(-c2cccc(-c3cn(CCCN4CCSCC4)nn3)c2F)c1OC,HZZYYBZIQGFIHH-UHFFFAOYSA-N
107
  rxn:1:51962:15493,N#Cc1ccc(C2CC2CCn2cc(-c3cn(-c4ccccc4)nc3C3CCCC3)nn2)cn1,UDIIKFLNLDSUPW-UHFFFAOYSA-N
108
  rxn:2:90658:153992,Cc1ccc(-c2ccccc2C(C)NC(C)Cc2nc(CC3CCCO3)no2)cc1,ZQAYGXKGTMEPPP-UHFFFAOYSA-N
 
 
106
  rxn:1:63681:37231,COc1nccc(-c2cccc(-c3cn(CCCN4CCSCC4)nn3)c2F)c1OC,HZZYYBZIQGFIHH-UHFFFAOYSA-N
107
  rxn:1:51962:15493,N#Cc1ccc(C2CC2CCn2cc(-c3cn(-c4ccccc4)nc3C3CCCC3)nn2)cn1,UDIIKFLNLDSUPW-UHFFFAOYSA-N
108
  rxn:2:90658:153992,Cc1ccc(-c2ccccc2C(C)NC(C)Cc2nc(CC3CCCO3)no2)cc1,ZQAYGXKGTMEPPP-UHFFFAOYSA-N
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+ rxn:2:76850:160312,FC(F)(c1ccc2c(c1)C(N[C@H]1CC[C@H](c3nc4ccccc4o3)CC1)c1ccccc1-2)c1nnn[nH]1,ZNRWLDGRKMUGBT-AYJVVXMVSA-N