Added 1 molecules from epoch 18897 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -157,3 +157,4 @@ rxn:1:46803:20029,CCc1cc(-c2cn(CCOCCN)nn2)n(Cc2cc(C(F)(F)F)ccc2O)n1,USFXZTQFKMNJ
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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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| 159 |
rxn:1:47597:28632,NC12CCC(c3cn(CC(O)C(O)c4ccc5[nH]nnc5c4)nn3)(CC1)CC2,SJUJVWRMYWJUPT-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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| 159 |
rxn:1:47597:28632,NC12CCC(c3cn(CC(O)C(O)c4ccc5[nH]nnc5c4)nn3)(CC1)CC2,SJUJVWRMYWJUPT-UHFFFAOYSA-N
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| 160 |
+
rxn:1:49300:4954,N#CCC(O)C(O)c1ccccc1-n1cc(Cn2nc(C#N)cc2-c2ccc(Cl)cc2)nn1,PQEGMCWRWPNCIE-UHFFFAOYSA-N
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