Added 1 molecules from epoch 18777 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -81,3 +81,4 @@ rxn:5:194507:227930:228514,O=S(=O)(c1ccccc1)n1ccc2c(-c3cccc(OC4CC4)c3)cc(-c3cccc
|
|
| 81 |
rxn:1:64232:31329,Cc1cccc(-c2cn(CC3CC(=O)N(Cc4cccc5[nH]ncc45)C3)nn2)c1C(=O)O,NFJKQFBQNVEKPG-UHFFFAOYSA-N
|
| 82 |
rxn:4:192176:227195,O=[N+]([O-])c1cc(-c2cc(F)cc3ccncc23)ccc1C1CC1,GEKZKGSUEHWYSJ-UHFFFAOYSA-N
|
| 83 |
rxn:3:56432:17882:90730,Cc1cc(C)nc(-n2nccc2-c2cn(CC3CC3c3ccc(F)c(CC(=O)NCC(C)(F)c4ccccc4)c3)nn2)c1,YRHVIAYEPMBTJE-UHFFFAOYSA-N
|
|
|
|
|
|
| 81 |
rxn:1:64232:31329,Cc1cccc(-c2cn(CC3CC(=O)N(Cc4cccc5[nH]ncc45)C3)nn2)c1C(=O)O,NFJKQFBQNVEKPG-UHFFFAOYSA-N
|
| 82 |
rxn:4:192176:227195,O=[N+]([O-])c1cc(-c2cc(F)cc3ccncc23)ccc1C1CC1,GEKZKGSUEHWYSJ-UHFFFAOYSA-N
|
| 83 |
rxn:3:56432:17882:90730,Cc1cc(C)nc(-n2nccc2-c2cn(CC3CC3c3ccc(F)c(CC(=O)NCC(C)(F)c4ccccc4)c3)nn2)c1,YRHVIAYEPMBTJE-UHFFFAOYSA-N
|
| 84 |
+
rxn:2:143804:91384,Cc1nn(-c2ncnc3c2cnn3C)c(C)c1NC1CCC(Cc2ccc3c(c2)CCCC3)CC1,FDHHJLAXUMCKRE-UHFFFAOYSA-N
|