ID,SMILES,cLogP,MW, pEC50,EC50
rac-hydroxy,OC1CN(C1)C(COC1=CN=CC2=NN=C(N12)C1=CC=C(OC(F)F)C=C1)C1=CC=CC=C1,3.1893,453.449,-0.0820892,0.827772100069
ketone,FC(F)OC1=CC=C(C=C1)C1=NN=C2C=NC=C(OCC(N3CC(=O)C3)C3=CC=CC=C3)N12,3.3975,451.433,-0.0130632,0.970368856327
oxo,FC(F)OC1=CC=C(C=C1)C1=NN=C2C=NC=C(OCC(N3COC3)C3=CC=CC=C3)N12,3.76,439.422,0.0487479,1.1187881747
SO2,FC(F)OC1=CC=C(C=C1)C1=NN=C2C=NC=C(OCC(N3CS(=O)(=O)C3)C3=CC=CC=C3)N12,3.1582,487.488,-0.113613,0.769816735376