Added 1 molecules from epoch 18627 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -1,2 +1,3 @@
|
|
| 1 |
Molecule_ID,SMILES,InChI_Key
|
| 2 |
rxn:4:177876:225468,COc1cccc(C(=O)c2ccccc2-c2ccc(-c3ccccc3C)nc2)c1,DAYOIJFVNPKMJY-UHFFFAOYSA-N
|
|
|
|
|
|
| 1 |
Molecule_ID,SMILES,InChI_Key
|
| 2 |
rxn:4:177876:225468,COc1cccc(C(=O)c2ccccc2-c2ccc(-c3ccccc3C)nc2)c1,DAYOIJFVNPKMJY-UHFFFAOYSA-N
|
| 3 |
+
rxn:2:145515:130413,CCCC(NCC(C)CN(C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C)s1,BSEIOPVNNFIZIX-UHFFFAOYSA-N
|