Added 1 molecules from epoch 18846 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
|
@@ -144,3 +144,4 @@ rxn:5:179175:223138:227955,CO/C=C/c1ccc(-c2ccnc(C3CCNCC3)c2)cc1-c1cc(C)cnc1C(C)C
|
|
| 144 |
rxn:1:57597:3620,Cc1cc(CCCn2cc(Cn3cc(Br)cc3C#N)nn2)cc(C)c1Cl,TYBBQWZNLUXTMK-UHFFFAOYSA-N
|
| 145 |
rxn:3:65445:443:107767,Cc1cc(-c2cn(CC3CC(=O)N(c4nc(C(=O)NCC5(COC(C)C)CC5)cs4)C3)nn2)c2cccc(F)c2n1,ANSKJVUIFHFIAH-UHFFFAOYSA-N
|
| 146 |
rxn:3:48103:444:96434,COc1c(C)c(C)cc(C)c1C(C)NC(=O)COc1ccccc1-n1cc(-c2cc(C)nc3ccc(F)cc23)nn1,GNFGUUDPKBZQFE-UHFFFAOYSA-N
|
|
|
|
|
|
| 144 |
rxn:1:57597:3620,Cc1cc(CCCn2cc(Cn3cc(Br)cc3C#N)nn2)cc(C)c1Cl,TYBBQWZNLUXTMK-UHFFFAOYSA-N
|
| 145 |
rxn:3:65445:443:107767,Cc1cc(-c2cn(CC3CC(=O)N(c4nc(C(=O)NCC5(COC(C)C)CC5)cs4)C3)nn2)c2cccc(F)c2n1,ANSKJVUIFHFIAH-UHFFFAOYSA-N
|
| 146 |
rxn:3:48103:444:96434,COc1c(C)c(C)cc(C)c1C(C)NC(=O)COc1ccccc1-n1cc(-c2cc(C)nc3ccc(F)cc23)nn1,GNFGUUDPKBZQFE-UHFFFAOYSA-N
|
| 147 |
+
rxn:4:176795:228827,COc1cc(-c2cc(F)c(F)cc2C)ccc1OC(C)=O,KVCFYFOJQANPIB-UHFFFAOYSA-N
|