Molecule,Canonical SMILES,Formula,MW,#Heavy atoms,#Aromatic heavy atoms,Fraction Csp3,#Rotatable bonds,#H-bond acceptors,#H-bond donors,MR,TPSA,iLOGP,XLOGP3,WLOGP,MLOGP,Silicos-IT Log P,Consensus Log P,ESOL Log S,ESOL Solubility (mg/ml),ESOL Solubility (mol/l),ESOL Class,Ali Log S,Ali Solubility (mg/ml),Ali Solubility (mol/l),Ali Class,Silicos-IT LogSw,Silicos-IT Solubility (mg/ml),Silicos-IT Solubility (mol/l),Silicos-IT class,GI absorption,BBB permeant,Pgp substrate,CYP1A2 inhibitor,CYP2C19 inhibitor,CYP2C9 inhibitor,CYP2D6 inhibitor,CYP3A4 inhibitor,log Kp (cm/s),Lipinski #violations,Ghose #violations,Veber #violations,Egan #violations,Muegge #violations,Bioavailability Score,PAINS #alerts,Brenk #alerts,Leadlikeness #violations,Synthetic Accessibility
Molecule 1,Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,C15H12O5,272.25,20,12,0.13,1,5,3,71.57,86.99,1.75,2.52,2.19,0.71,2.05,1.84,-3.49,8.74E-02,3.21E-04,Soluble,-3.99,2.77E-02,1.02E-04,Soluble,-3.42,1.04E-01,3.82E-04,Soluble,High,No,Yes,Yes,No,No,No,Yes,-6.17,0,0,0,0,0,0.55,0,0,0,3.01
