Added 1 molecules from epoch 18890 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -155,3 +155,4 @@ rxn:1:46760:9352,CC(C(=O)Nc1cccc(-c2cn(CCC=Cc3ccnc4cc(Cl)ccc34)nn2)c1)N1C(=O)c2c
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| 155 |
rxn:3:56298:19221:147108,CCc1cccc(C(C)n2cc(-c3cn(CC4CC4c4cc(C(=O)Nc5oc6ccccc6c(=O)c5-c5ccccc5)c(F)cn4)nn3)cn2)c1,UQZPGCMKJPOWJM-UHFFFAOYSA-N
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| 156 |
rxn:1:46803:20029,CCc1cc(-c2cn(CCOCCN)nn2)n(Cc2cc(C(F)(F)F)ccc2O)n1,USFXZTQFKMNJKZ-UHFFFAOYSA-N
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| 157 |
rxn:2:148450:90727,CCn1cccc(-n2ncc(OC)c2NC(C)c2ccc(OC)nn2)c1=O,VMARLGYOLPTKSX-UHFFFAOYSA-N
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| 155 |
rxn:3:56298:19221:147108,CCc1cccc(C(C)n2cc(-c3cn(CC4CC4c4cc(C(=O)Nc5oc6ccccc6c(=O)c5-c5ccccc5)c(F)cn4)nn3)cn2)c1,UQZPGCMKJPOWJM-UHFFFAOYSA-N
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| 156 |
rxn:1:46803:20029,CCc1cc(-c2cn(CCOCCN)nn2)n(Cc2cc(C(F)(F)F)ccc2O)n1,USFXZTQFKMNJKZ-UHFFFAOYSA-N
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| 157 |
rxn:2:148450:90727,CCn1cccc(-n2ncc(OC)c2NC(C)c2ccc(OC)nn2)c1=O,VMARLGYOLPTKSX-UHFFFAOYSA-N
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| 158 |
+
rxn:2:90538:132747,CC(C)Oc1ccc([C@H](NC(CCN2CCc3ccccc3C2)C(C)(C)C)C2CCC2)cc1,VCNFVDYVBUGQRK-YPJJGMIRSA-N
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