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cosmic-amanita commited on
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1 Parent(s): 238c176

Added 1 molecules from epoch 18743 to P23975_molecules_TEST.csv

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  1. P23975_molecules_TEST.csv +1 -0
P23975_molecules_TEST.csv CHANGED
@@ -51,3 +51,4 @@ rxn:4:216391:223869,CCOc1ccc(-c2cnc(C#N)nc2Cl)cc1OCc1ccccc1,NNKYTRCTCIUFDG-UHFFF
51
  rxn:5:179756:228816:227438,Cc1nc(C)c(-c2ccccc2Oc2cccc(-c3ccnc(C4CCOC4)c3)c2)c(C)n1,GVIZKTCIHZZIFJ-UHFFFAOYSA-N
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  rxn:3:44731:15566:82253,Cc1c(C#CCCn2cc(Cn3cc(C#N)c(CC4CCC4)n3)nn2)cccc1C(=O)NCC1CC2(CCCCC2)C1,DJPAIAIFVLFJGU-UHFFFAOYSA-N
53
  rxn:1:51480:21146,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3C(c4cccc5c4oc4ccccc45)C3(F)F)nn2)cc1F,FWNSIXGZUUAYLO-UHFFFAOYSA-N
 
 
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  rxn:5:179756:228816:227438,Cc1nc(C)c(-c2ccccc2Oc2cccc(-c3ccnc(C4CCOC4)c3)c2)c(C)n1,GVIZKTCIHZZIFJ-UHFFFAOYSA-N
52
  rxn:3:44731:15566:82253,Cc1c(C#CCCn2cc(Cn3cc(C#N)c(CC4CCC4)n3)nn2)cccc1C(=O)NCC1CC2(CCCCC2)C1,DJPAIAIFVLFJGU-UHFFFAOYSA-N
53
  rxn:1:51480:21146,COc1ccc(C(C)n2nc(C3CCCCC3)cc2-c2cn(CC3C(c4cccc5c4oc4ccccc45)C3(F)F)nn2)cc1F,FWNSIXGZUUAYLO-UHFFFAOYSA-N
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+ rxn:5:181959:226192:228663,Cc1ccccc1-c1csc(-c2ccc(-c3cccc(-c4nc5ccccc5s4)c3C)cc2)c1,FQYFIWULAAOEEC-UHFFFAOYSA-N