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cosmic-amanita commited on
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2bcd141
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1 Parent(s): 624dd56

Added 1 molecules from epoch 18733 to P23975_molecules_TEST.csv

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  1. P23975_molecules_TEST.csv +1 -0
P23975_molecules_TEST.csv CHANGED
@@ -39,3 +39,4 @@ rxn:2:110922:164032,CC(Nc1nc(-c2nc(C3CCCC3)no2)n[nH]1)c1ccccc1-c1ccc2conc2c1,PCO
39
  rxn:2:139535:147522,CCOCc1ccc(NC(C)c2ccc3c(OCC(C)C)nn(C)c3c2)c2cccnc12,NKZFGKWKRNZAFW-UHFFFAOYSA-N
40
  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
 
 
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  rxn:2:139535:147522,CCOCc1ccc(NC(C)c2ccc3c(OCC(C)C)nn(C)c3c2)c2cccnc12,NKZFGKWKRNZAFW-UHFFFAOYSA-N
40
  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
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+ rxn:5:181736:226073:227370,N#Cc1ccc2cc(-c3ccccc3-c3ccc(-c4ccc(OC5CC5)c(F)c4)cc3)ccc2c1,ORGHZZOVVRNXKI-UHFFFAOYSA-N