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path: root/cv/data/csv/RAT_hybrid.csv
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-rw-r--r--cv/data/csv/RAT_hybrid.csv1024
1 files changed, 512 insertions, 512 deletions
diff --git a/cv/data/csv/RAT_hybrid.csv b/cv/data/csv/RAT_hybrid.csv
index cb3e2a1..2c88d22 100644
--- a/cv/data/csv/RAT_hybrid.csv
+++ b/cv/data/csv/RAT_hybrid.csv
@@ -1,512 +1,512 @@
-SMILES,WV.unity,Wnu1.unity,Wlambda3.unity,Wlambda1.unity,BCUTc-1l,BCUTw-1h,Wnu2.unity,WA.unity,WK.unity,Weta2.unity,BCUTw-1l,Weta1.unity,BCUTp-1h,WD.unity,BCUTc-1h,Weta3.unity,BCUTp-1l,WT.unity,Wlambda2.unity
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