Added 1 molecules from epoch 18761 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -68,3 +68,4 @@ rxn:5:198200:229286:223088,Cn1ccc(-c2c[n+]([O-])ccc2-c2ccnc3[nH]c(C(F)(F)F)cc23)
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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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| 69 |
rxn:4:189986:224553,COc1cc(CN2CCOCC2)ccc1-c1ccc(OCc2ccccc2)cc1Cl,USCWJPCPCHMYPO-UHFFFAOYSA-N
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| 70 |
rxn:4:202368:222980,COC(=O)CCn1ncc2ccc(-c3ccc(CN4CCNCC4)cc3)cc21,HWKZAJWTUJIYFE-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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| 69 |
rxn:4:189986:224553,COc1cc(CN2CCOCC2)ccc1-c1ccc(OCc2ccccc2)cc1Cl,USCWJPCPCHMYPO-UHFFFAOYSA-N
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| 70 |
rxn:4:202368:222980,COC(=O)CCn1ncc2ccc(-c3ccc(CN4CCNCC4)cc3)cc21,HWKZAJWTUJIYFE-UHFFFAOYSA-N
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| 71 |
+
rxn:2:145812:82495,COC(CNCCc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1,LUHVVSPIYIDHSE-UHFFFAOYSA-N
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