Added 1 molecules from epoch 18913 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -167,3 +167,4 @@ rxn:2:101757:154171,CCc1cccc(-c2nc(CNC(C)c3c[nH]c4ncc(-c5c(C)cccc5OC)cc34)cs2)c1
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| 167 |
rxn:3:41101:12181:96753,CCC(C)(c1cn(CC=Cc2cccc(C(=O)Nc3cc(C(C)(F)F)ccc3C)c2OC)nn1)C(F)F,NCWSLZNLANZQHW-UHFFFAOYSA-N
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| 168 |
rxn:3:54199:39598:99156,COCC1(NC(=O)c2cccnc2C2C(CCn3cc(CN(C)C(C)(C)C)nn3)C2(F)F)CC2(CCC2)C1,ISNPCHSFXVIRIT-UHFFFAOYSA-N
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| 169 |
rxn:1:52719:687,Cc1nc2ccccc2c(=O)n1N1CC1(C)c1cn(CCC2CC2c2ccc(C(=O)O)c(Cl)c2)nn1,HSTPCSCBNNTDJI-UHFFFAOYSA-N
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| 167 |
rxn:3:41101:12181:96753,CCC(C)(c1cn(CC=Cc2cccc(C(=O)Nc3cc(C(C)(F)F)ccc3C)c2OC)nn1)C(F)F,NCWSLZNLANZQHW-UHFFFAOYSA-N
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| 168 |
rxn:3:54199:39598:99156,COCC1(NC(=O)c2cccnc2C2C(CCn3cc(CN(C)C(C)(C)C)nn3)C2(F)F)CC2(CCC2)C1,ISNPCHSFXVIRIT-UHFFFAOYSA-N
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| 169 |
rxn:1:52719:687,Cc1nc2ccccc2c(=O)n1N1CC1(C)c1cn(CCC2CC2c2ccc(C(=O)O)c(Cl)c2)nn1,HSTPCSCBNNTDJI-UHFFFAOYSA-N
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| 170 |
+
rxn:1:48932:29631,CCN(c1cn(CCC(O)C(O)c2cc(Cl)cc(N)c2O)nn1)S(=O)(=O)c1ccc(C)cc1,MHSOPCIHLBUHAQ-UHFFFAOYSA-N
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