Added 1 molecules from epoch 18836 to P23975_molecules_TEST.csv
Browse files
P23975_molecules_TEST.csv
CHANGED
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@@ -135,3 +135,4 @@ rxn:1:58060:3705,CC1(C)CN(CCCc2cn(CCCc3cccc4c3NC(=O)C4)nn2)CCS1,HVMXFMTWSBGAEG-U
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| 135 |
rxn:1:57619:33435,Cc1nscc1C(=O)Nc1cncc(-c2cn(CCCN3CCCCC3=O)nn2)c1,XXAYNNOJCYVXOA-UHFFFAOYSA-N
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| 136 |
rxn:1:63997:38405,CC(O)(Cc1cn(CC2CC(=O)N(CC3(N4CCOCC4)CCCCC3)C2)nn1)c1cccc(Br)c1,DVEWPIDJZYRFKU-UHFFFAOYSA-N
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| 137 |
rxn:1:51571:8224,O=C(c1cn(CCC2CC2c2cscn2)nn1)N1CCCC(c2cc(CCO)ncn2)C1,ZNZJPIFOUJVFBH-UHFFFAOYSA-N
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| 135 |
rxn:1:57619:33435,Cc1nscc1C(=O)Nc1cncc(-c2cn(CCCN3CCCCC3=O)nn2)c1,XXAYNNOJCYVXOA-UHFFFAOYSA-N
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| 136 |
rxn:1:63997:38405,CC(O)(Cc1cn(CC2CC(=O)N(CC3(N4CCOCC4)CCCCC3)C2)nn1)c1cccc(Br)c1,DVEWPIDJZYRFKU-UHFFFAOYSA-N
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| 137 |
rxn:1:51571:8224,O=C(c1cn(CCC2CC2c2cscn2)nn1)N1CCCC(c2cc(CCO)ncn2)C1,ZNZJPIFOUJVFBH-UHFFFAOYSA-N
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| 138 |
+
rxn:4:206901:225756,COC(=O)c1cc(-c2ccc(CN3CCCN(C)CC3)o2)c(C(C)C)cn1,IDOIJRVEZMVNRZ-UHFFFAOYSA-N
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