Added 1 molecules from epoch 18757 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -65,3 +65,4 @@ rxn:1:61632:33257,O=C(Nc1cccc(-c2cn([C@@H]3[C@H](Oc4ccc([N+](=O)[O-])cc4Cl)O[C@H
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| 65 |
rxn:3:43541:20214:113539,Cc1cc(C)cc([C@H](NC(=O)c2ccc(C#CCn3cc(-c4cc(C(C)C)nn4C(C)C4CCCC4)nn3)c(C(F)(F)F)c2)C2CC2)c1,FNECBXDFLHBVDE-SLOOROQESA-N
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| 66 |
rxn:1:57087:18780,CCCc1ccc(C(C)n2nccc2-c2cn(CCCc3ncc(Br)cn3)nn2)cc1,PZGNBJRESATECL-UHFFFAOYSA-N
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| 67 |
rxn:5:198200:229286:223088,Cn1ccc(-c2c[n+]([O-])ccc2-c2ccnc3[nH]c(C(F)(F)F)cc23)c1,SCBXXSILNCBIBQ-UHFFFAOYSA-N
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| 65 |
rxn:3:43541:20214:113539,Cc1cc(C)cc([C@H](NC(=O)c2ccc(C#CCn3cc(-c4cc(C(C)C)nn4C(C)C4CCCC4)nn3)c(C(F)(F)F)c2)C2CC2)c1,FNECBXDFLHBVDE-SLOOROQESA-N
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| 66 |
rxn:1:57087:18780,CCCc1ccc(C(C)n2nccc2-c2cn(CCCc3ncc(Br)cn3)nn2)cc1,PZGNBJRESATECL-UHFFFAOYSA-N
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| 67 |
rxn:5:198200:229286:223088,Cn1ccc(-c2c[n+]([O-])ccc2-c2ccnc3[nH]c(C(F)(F)F)cc23)c1,SCBXXSILNCBIBQ-UHFFFAOYSA-N
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| 68 |
+
rxn:5:199058:228603:225672,CC(=O)c1cccc(-c2c(C)ccc3c(-c4cc(F)nc(C5CCCCC5)c4)ccnc23)c1,GPXACWJKVRUJNU-UHFFFAOYSA-N
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