Added 1 molecules from epoch 18733 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -40,3 +40,4 @@ rxn:2:139535:147522,CCOCc1ccc(NC(C)c2ccc3c(OCC(C)C)nn(C)c3c2)c2cccnc12,NKZFGKWKR
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| 40 |
rxn:5:198653:228532:228235,CC(C)c1c(-c2cccc3nccc(-c4ccc5sccc5c4)c23)ccnc1F,CFNXLBNDSCIUFD-UHFFFAOYSA-N
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| 41 |
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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| 42 |
rxn:5:181736:226073:227370,N#Cc1ccc2cc(-c3ccccc3-c3ccc(-c4ccc(OC5CC5)c(F)c4)cc3)ccc2c1,ORGHZZOVVRNXKI-UHFFFAOYSA-N
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| 40 |
rxn:5:198653:228532:228235,CC(C)c1c(-c2cccc3nccc(-c4ccc5sccc5c4)c23)ccnc1F,CFNXLBNDSCIUFD-UHFFFAOYSA-N
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| 41 |
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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| 42 |
rxn:5:181736:226073:227370,N#Cc1ccc2cc(-c3ccccc3-c3ccc(-c4ccc(OC5CC5)c(F)c4)cc3)ccc2c1,ORGHZZOVVRNXKI-UHFFFAOYSA-N
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| 43 |
+
rxn:5:194507:226201:228967,CC(C)n1cc2cc(-c3cc(-c4cn(C)nc4C(F)F)cc4c3ccn4S(=O)(=O)c3ccccc3)ccc2n1,NSMUEUVEUNIJIV-UHFFFAOYSA-N
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