ReactionLabel;SubsLabel;SubsSmile;ProdLabel;ProdSmile;CatLabel;CatSmile;SolvLabel;SolvSmile;NucLabel;NucSmile
REACT01;SUBST01;OC(C1=CC(Cl)=C(F)C=C1)C2=CNC3=C2C=CC=C3;PROD01;O=C(CC(C1=CC=C(F)C(Cl)=C1)C2=CNC3=C2C=CC=C3)C4=CC=C(Cl)C=C4;CAT01;O=P1(O)OC(C(C2=CC=CC=C2)=C3)=[C@@]([C@@]4=C(CCCC5)C5=CC(C6=CC=CC=C6)=C4O1)C7=C3CCCC7;SOLV01;ClCCl;NUC01;C=C(NC(C1=CC=CC=C1)=O)C2=CC=C(Cl)C=C2
REACT02;SUBST02;OC(C1=CC(Cl)=C(F)C=C1)C2=CNC3=C2C=CC=C3;PROD02;O=C(CC(C1=CC=C(F)C(Cl)=C1)C2=CNC3=C2C=CC=C3)C4=CC=C(Cl)C=C4;CAT02;O=P1(O)OC(C(C2=CC=CC=C2)=C3)=[C@@]([C@@]4=C(CCCC5)C5=CC(C6=CC=CC=C6)=C4O1)C7=C3CCCC7;SOLV02;ClCCl;NUC02;C=C(NC(C1=CC=CC=C1)=O)C2=CC=C(Cl)C=C2
REACT03;SUBST03;OC(C1=CC(Cl)=C(F)C=C1)C2=CNC3=C2C=CC=C3;PROD03;O=C(CC(C1=CC=C(F)C(Cl)=C1)C2=CNC3=C2C=CC=C3)C4=CC=C(Cl)C=C4;CAT03;O=P1(O)OC(C(C2=CC=CC=C2)=C3)=[C@@]([C@@]4=C(CCCC5)C5=CC(C6=CC=CC=C6)=C4O1)C7=C3CCCC7;SOLV03;ClCCl;NUC03;C=C(NC(C1=CC=CC=C1)=O)C2=CC=C(Cl)C=C2


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