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cosmic-amanita commited on
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dfaa6ff
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1 Parent(s): 8c9742b

Added 1 molecules from epoch 18732 to P23975_molecules_TEST.csv

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  1. P23975_molecules_TEST.csv +1 -0
P23975_molecules_TEST.csv CHANGED
@@ -38,3 +38,4 @@ rxn:1:58437:17458,CCOc1ccc(-n2nc(-c3cn(CCCc4ccc5c(c4)C(=O)CCC5)nn3)cc2C2CCCCC2)c
38
  rxn:2:110922:164032,CC(Nc1nc(-c2nc(C3CCCC3)no2)n[nH]1)c1ccccc1-c1ccc2conc2c1,PCOSNHZMZRNCGX-UHFFFAOYSA-N
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  rxn:2:139535:147522,CCOCc1ccc(NC(C)c2ccc3c(OCC(C)C)nn(C)c3c2)c2cccnc12,NKZFGKWKRNZAFW-UHFFFAOYSA-N
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  rxn:5:198653:228532:228235,CC(C)c1c(-c2cccc3nccc(-c4ccc5sccc5c4)c23)ccnc1F,CFNXLBNDSCIUFD-UHFFFAOYSA-N
 
 
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  rxn:2:110922:164032,CC(Nc1nc(-c2nc(C3CCCC3)no2)n[nH]1)c1ccccc1-c1ccc2conc2c1,PCOSNHZMZRNCGX-UHFFFAOYSA-N
39
  rxn:2:139535:147522,CCOCc1ccc(NC(C)c2ccc3c(OCC(C)C)nn(C)c3c2)c2cccnc12,NKZFGKWKRNZAFW-UHFFFAOYSA-N
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  rxn:5:198653:228532:228235,CC(C)c1c(-c2cccc3nccc(-c4ccc5sccc5c4)c23)ccnc1F,CFNXLBNDSCIUFD-UHFFFAOYSA-N
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+ rxn:5:197429:228617:228337,CCOc1cc(F)c(-c2ccc(-c3c(C)cccc3OC)c3[nH]cc(C(C)=O)c23)cn1,LUJOSEPJUDJDQK-UHFFFAOYSA-N